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aetiocholanolone

aetiocholanolone

CAS: 481-29-8

Formula: C19H30O2

SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C

IUPAC: (3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one

InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,18+,19-/m1/s1

Composition: C (78.57%), H (10.41%), O (11.02%)

Molar Mass: 290.447

Atom Count: 51

Heavy Atom Count: 21

Properties
Properties
Common Names 3-epiandrosterone; aetiocholanolone; d-epiandrosterone; epiandrosterone; iso-androsterone; isoandrosterone
Aromatic Ring Count 0
Asymmetric Atom Count 7
Exact Mass 290.224580206
Formal Charge 0
FSP3 0.95
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QGXBDMJGAMFCBF-LUJOEAJASA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.81
Topological Polar Surface Area 37.3
Polarizability 33.5
Ring Count 4
Rotatable Bond Count 0

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