Diendiol structure

Diendiol

(8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Also Known As: Diendiol|EINECS 222-489-1|11 beta,21-dihydroxy-4,17(20)-pregnadien-3-one|11-beta,21-Dihydroxypregna-4,17(20)-dien-3-one|4,17(20)-pregnadien-11beta,21-diol-3-one|11-beta,21-dihydroxypregna-4,17 -dien-3-one|3-oxo-11,21-dihydroxypregna-4,17(20)-diene|11beta,21-dihydroxypregna-4,17(20)-dien-3-one|Pregna-4,17(20)-dien-3-one, 11,21-dihydroxy-, (11beta)-|Pregna-4,17(20)-dien-3-one, 11.beta.,21-dihydroxy-|(8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|Pregna-4,17(20)-dien-3-one, 11,21-dihydroxy-, (11.beta.)-|(8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylide|(3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyethylidene)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

CAS: 3103-13-7
Molecular Formula C21H30O3
Molecular Weight 330.21948 g/mol
LogP 3.4078
Topological Polar Surface Area 57.53 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 1
Exact Mass 330.21948
Monoisotopic Mass 330.21948
Heavy Atoms 24
Complexity 618.5734

Chemical Identifiers

CAS Number 3103-13-7
SMILES C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]\4([C@H]3CC/C4=C/CO)C)O

Product Overview

Diendiol (CAS 3103-13-7), with molecular formula C21H30O3 and molecular weight 330.21948 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

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