Cas no 138605-82-0 ((1'S,2S,3R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5-(hydroxymethyl)-1',5,5'',9a',11a',12',20a',22a'-octamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7',9',9a',9b',10',11',11a',14a',15b',16',1)
138605-82-0 structure
Product Name:(1'S,2S,3R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5-(hydroxymethyl)-1',5,5'',9a',11a',12',20a',22a'-octamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7',9',9a',9b',10',11',11a',14a',15b',16',1
CAS No:138605-82-0
MF:C54H76N2O11
MW:929.188056945801
CID:1253957
PubChem ID:5352057
Update Time:2025-04-20
(1'S,2S,3R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5-(hydroxymethyl)-1',5,5'',9a',11a',12',20a',22a'-octamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7',9',9a',9b',10',11',11a',14a',15b',16',1 Chemical and Physical Properties
Names and Identifiers
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- (1'S,2S,3R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5-(hydroxymethyl)-1',5,5'',9a',11a',12',20a',22a'-octamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7',9',9a',9b',10',11',11a',14a',15b',16',1
- (1'S,2S,3R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5-(hydroxym
- (1'S,2S,3R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5-(hydroxymethyl)-1',5,5'',9a',11a',12',20a',22a'-octamethyl-3'',3a',4,4'',4b',5,5',5'
- Cephalostatin 7
- DTXSID10417726
- (+)-Cephalostatin 7
- 138605-82-0
-
- Inchi： 1S/C54H76N2O11/c1-26-51(14-13-45(3,61)25-64-51)65-43-19-34-30-11-9-28-15-36-38(21-47(28,5)32(30)17-40(58)49(34,7)52(26,43)62)55-37-16-29-10-12-31-33(48(29,6)22-39(37)56-36)18-41(59)50(8)35(31)20-44-53(50,63)27(2)54(66-44)42(60)23-46(4,24-57)67-54/h19-20,26-33,40-44,57-63H,9-18,21-25H2,1-8H3
- InChI Key： PVWRLYLGSHCILI-UHFFFAOYSA-N
- SMILES： CC1C2(C(C=C3C2(C)C(O)CC2C3CCC3C2(C)CC2C(=NC4=C(N=2)CC2CCC5C6=CC7C(C6(C)C(O)CC5C2(C)C4)(O)C(C)C2(C(O)CC(CO)(C)O2)O7)C3)OC21OCC(O)(C)CC2)O
Computed Properties
- Exact Mass: 928.545
- Monoisotopic Mass: 928.545
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 67
- Rotatable Bond Count: 1
- Complexity: 2180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 22
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 204A^2
- XLogP3: 3
Experimental Properties
- Density: 1.41
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.67
(1'S,2S,3R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5-(hydroxymethyl)-1',5,5'',9a',11a',12',20a',22a'-octamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7',9',9a',9b',10',11',11a',14a',15b',16',1 Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
138605-82-0 ((1'S,2S,3R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5-(hydroxymethyl)-1',5,5'',9a',11a',12',20a',22a'-octamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7',9',9a',9b',10',11',11a',14a',15b',16',1) Related Products
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