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(5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(Z)-6-methylhept-2-en-2-yl]-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

HCID 178783100
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Basic information

CAS
41084-10-0
Standard SMILES
C/C(=C/CCC(C)C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
DVERXJHYDBMZEG-HDNCDSACSA-N
Molecular formula
C27H42O2
Average molar mass
398.6 g/mol

Names & identifiers

Preferred name
(5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(Z)-6-methylhept-2-en-2-yl]-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
IUPAC
(5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(Z)-6-methylhept-2-en-2-yl]-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
English name
5α-Cholest-20(22)-ene-3,6-dione
Molecular formula
C27H42O2
Molecular weight
398.62118

Names & synonyms

5α-Cholest-20(22)-ene-3,6-dioneCholest-20(22)-ene-3,6-dione, (5α)- (9CI)

Database identifiers

CAS
41084-10-0

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
29
Formal charge
0
Complexity
703

Physicochemical properties

Boiling point
500.9 · 500.9±50.0 °C(Predicted)
Density
1.011 · 1.011±0.06 g/cm3(Predicted)

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