Cas no 139933-46-3 (1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6S,11R)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-,(aR,2R,5R,6S,8S)-)
139933-46-3 structure
Product Name:1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6S,11R)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-,(aR,2R,5R,6S,8S)-
CAS No:139933-46-3
MF:C44H68O13
MW:805.002935409546
CID:175879
PubChem ID:91800179
Update Time:2025-04-19
1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6S,11R)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-,(aR,2R,5R,6S,8S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6S,11R)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-,(aR,2R,5R,6S,8S)-
- 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-meth...
- 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)
- 2-hydroxy-3-[11-hydroxy-2-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-
- Dinophysistoxin-2 solution
- 2-hydroxy-3-{5-hydroxy-8-[(2E)-3-{8'-hydroxy-6'-[1-hydroxy-3-(11-methyl-1,7-dioxaspiro[5.5]undec-2-yl)butyl]-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl}-1-methylprop-2-en-1-yl]-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-methylpropanoic acid
- DINOPHYSISTOXIN
- Acanthifolicin, 9,10-deepithio-9,10-didehydro-31-demethyl-35-methyl-, (35R)-
- DTXSID50893702
- DTX-2
- Q27288119
- (2R)-3-[(2S,5R,6R,8S)-8-{(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl}-7'-methylidenehexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
- DTX2
- 1,7-Dioxaspiro(5.5)undec-10-ene-2-propanoic acid, alpha,5-dihydroxy-alpha,10-dimethyl-8-((1R,2E)-1-methyl-3-((2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,6S,11R)-11-methyl-1,7-dioxaspiro(5.5)undec-2-yl)butyl)-7'-methylenespiro(furan-2(3H),2'(3'H)-pyrano(3,2-b)pyran)-5-yl)-2-propenyl)-, (alphaR,2R,5R,6S,8S)-
- NS00097722
- (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4As,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid
- (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl}-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid
- CHEBI:145981
- RH78DHY1JZ
- (35R)-9,45-SECO-10-DEMERCAPTO-9,10-DIDEHYDRO-35-METHYL-39-NORACANTHIFOLICIN
- Dinophysistoxin-2
- J531.104G
- DTX 2
- 139933-46-3
- Dinophysistoxin 2
- UNII-RH78DHY1JZ
-
- Inchi: 1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1
- InChI Key: BRFKTXCAUCYQBT-KIXJXINUSA-N
- SMILES: O1[C@H]2[C@@H](C(=C)[C@@H]([C@H](C[C@H](C)[C@@H]3CCC[C@]4([C@H](C)CCCO4)O3)O)O[C@@H]2CC[C@]21CC[C@H](/C=C/[C@@H](C)[C@@H]1CC(C)=C[C@]3([C@@H](CC[C@@H](C[C@@](C(=O)O)(C)O)O3)O)O1)O2)O
Computed Properties
- Exact Mass: 804.465992
- Monoisotopic Mass: 804.465992
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 57
- Rotatable Bond Count: 10
- Complexity: 1520
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 17
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.4
- Topological Polar Surface Area: 183
Experimental Properties
- Density: 1.28
- Boiling Point: 921.6°Cat760mmHg
- Flash Point: 269.4°C
- Refractive Index: 1.584
1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6S,11R)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-,(aR,2R,5R,6S,8S)- Related Literature
-
1. Isolation of a new diarrhetic shellfish poison from Irish musselsTingmo Hu,Jacqueline Doyle,David Jackson,Julie Marr,Eugene Nixon,Stephen Pleasance,Michael A. Quilliam,John A. Walter,Jeffrey L. C. Wright J. Chem. Soc. Chem. Commun. 1992 39
-
Jayakumar Perumal,Yusong Wang,Amalina Binte Ebrahim Attia,U. S. Dinish,Malini Olivo Nanoscale 2021 13 553
-
John W. Blunt,Brent R. Copp,Wan-Ping Hu,Murray H. G. Munro,Peter T. Northcote,Michèle R. Prinsep Nat. Prod. Rep. 2009 26 170
-
M. Comesan?-Losada,A. Gago-Martínez,J. M. Leao-Martins,J. A. Rodríguez-Vázquez Analyst 1996 121 1665
-
D. J. Faulkner Nat. Prod. Rep. 1994 11 355
139933-46-3 (1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6S,11R)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-,(aR,2R,5R,6S,8S)-) Related Products
- 155716-06-6(Okadaic Acid Ammonium Salt)
- 155751-72-7(Okadaic Acid Potassium Salt)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
CN Supplier
Bulk
NewCan Biotech Limited
Gold Member
CN Supplier
Reagent
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
CN Supplier
Reagent