Cas no 111004-32-1 (Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-aceticacid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-,methyl ester, (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)-)
![Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-aceticacid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-,methyl ester, (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)- structure](https://ossimg.kuujia.com/scimg/111500/111004-32-1x500.png)
111004-32-1 structure
Product Name:Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-aceticacid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-,methyl ester, (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)-
CAS No:111004-32-1
MF:C27H34O9
MW:502.553469181061
CID:145025
PubChem ID:13857942
Update Time:2024-03-01
Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-aceticacid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-,methyl ester, (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)- Chemical and Physical Properties
Names and Identifiers
-
- Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-aceticacid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-,methyl ester, (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)-
- Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-aceticacid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-
- Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-acetic acid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-,methyl ester, [1S-(1a,3aa,4aR*,4bb,6b,6ab,9b,9ab,9ba,11aa)]-
- Isocyclocalamin
- Limonoicacid, 19-deoxy-6-hydroxy-, d-lactone, methyl ester, (5b,6b)-
- Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-acetic acid, 1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-, methyl ester, (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)-
- CHEBI:172718
- methyl 2-[7-(uran-3-yl)-17-hydroxy-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-13-yl]acetate
- DTXSID401099024
- 111004-32-1
- Methyl (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)-1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-acetate
-
- Inchi： 1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,17-18,20-21,29H,7,9,11H2,1-6H3/t14-,15+,17+,18-,20+,21-,24+,25+,26+,27-/m1/s1
- InChI Key： BPAWUWIFAKISJD-HTWQUKHMSA-N
- SMILES： [C@@H]1(C2C=COC=2)OC(=O)[C@@]2([H])O[C@@]32[C@@]2(C)[C@@]([H])([C@@]4(C)[C@H](CC(OC)=O)OC(C)(C)[C@@]4([H])[C@H](O)C2=O)CC[C@@]13C
Computed Properties
- Exact Mass: 502.22028266g/mol
- Monoisotopic Mass: 502.22028266g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 36
- Rotatable Bond Count: 4
- Complexity: 1020
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 125?2
Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-aceticacid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-,methyl ester, (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
111004-32-1 (Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9-aceticacid,1-(3-furanyl)tetradecahydro-6-hydroxy-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-,methyl ester, (1S,3aS,4aR,4bR,6S,6aR,9S,9aR,9bR,11aS)-) Related Products
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