CAS: 481-29-8
이름: (3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SMILES:
CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OMolecular Processing
Molecular formula
C19H30O2
Molecular weight
290.45
Exact mass
290.2246
XLogP
3.96
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.947
Molar refractivity
82.74
Supplementary Information
InChIKey: QGXBDMJGAMFCBF-LUJOEAJASA-N
동의어
EPIANDROSTERONE481-29-8Isoandrosteroneiso-Androsterone3Beta-hydroxy-5alpha-androstan-17-oned-Epiandrosterone3beta-Hydroxyetioallocholan-17-one3beta-Hydroxy-androstan-17-one8TR252Z538CHEBI:541975DTXSID20289698NSC-93996(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-oneRefChem:590907DTXCID601030608207-563-3trans-AndrosteroneAndrostan-17-one, 3-hydroxy-, (3b,5a)-5alpha-Androstan-3beta-ol-17-one(3beta,5alpha)-3-hydroxyandrostan-17-oneMLS001304190CHEMBL272195Androsterone, epi-NSC 93996ST072176epi-andosteroneAndrosterone, trans-(1S,2S,5S,7S,11S,15S,10R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11, 15>]heptadecan-14-oneEpiandrosterone (1mg/mL in Acetonitrile)
6개 반응에 참여→