CAS: 5864-38-0
이름: 13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SMILES:
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OMolecular Processing
Molecular formula
C18H24O2
Molecular weight
272.39
Exact mass
272.1776
XLogP
3.61
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
78.73
Supplementary Information
InChIKey: VOXZDWNPVJITMN-UHFFFAOYSA-N
동의어
13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthrene-3,17-diolRefChem:10574835864-38-01093411-48-315-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-2(7),3,5-triene-5,14-diol1,3,5(10)-Estratriene-3,17 beta-diol1,3,5-Estratriene-3,17beta-diolEC-Estradiol?-Estradiol17?-Estradiol-d4CHEMBL41217?-Estradiol-d5 solutionNCIOpen2_007331SCHEMBL94610CHEBI:95191HMS5079B16HMS5087D05ALBB-025799RCA78903WIA09345BDBM50005414NSC102841SBB012486AKOS015998413EBC-461070NSC-102841NCGC00015422-02NCGC00015422-03
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