CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C
CAS: 67034-83-7
Name: 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SMILES: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C

Molecular Processing

Molecular formula
C19H28O2
Molecular weight
288.43
Exact mass
288.2089
XLogP
3.88
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.842
Molar refractivity
82.72

Supplementary Information

InChIKey: FMGSKLZLMKYGDP-UHFFFAOYSA-N
Synonyme
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneDTXSID8013318663-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-17-oneRefChem:1067920DTXCID0020903667034-83-73-Hydroxyandrost-5-en-17-oneITdUMFCD00003613Spectrum_000661SpecPlus_000094Spectrum2_000359Spectrum3_000116Spectrum4_001395Spectrum5_000130KBioGR_001750KBioSS_001141CHEMBL31399DivK1c_006190SPBio_000457SCHEMBL9969169CHEBI:95212KBio1_001134KBio2_001141KBio2_003709KBio2_006277KBio3_000872CCG-38634AKOS015998159SMP2_000186
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