C[C@H]1CC2(C[C@@H]3CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]4[C@]31C)OCCO2
Name: (1S,5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
SMILES: C[C@H]1CC2(C[C@@H]3CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]4[C@]31C)OCCO2

Molecular Processing

Molecular formula
C22H36O3
Molecular weight
348.53
Exact mass
348.2664
XLogP
4.38
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
25
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
96.92

Supplementary Information

InChIKey: HAOIXOWEJKWZGG-QKSWPAOXSA-N
Synonyme
SCHEMBL10408065HAOIXOWEJKWZGG-QKSWPAOXSA-N3,3-ethylenedioxy-1alpha-methyl-5alpha-androstan-17beta-ol3,3-ethylenedioxy-17beta-hydroxy-1alpha-methyl-5alpha-androstane
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