الاسم: (E)-3-((3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-3a-yl)acrylic acid
SMILES:
CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(/C=C/C(=O)O)CC1=OMolecular Processing
Molecular formula
C32H48O4
Molecular weight
496.73
Exact mass
496.3553
XLogP
6.97
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
36
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.812
Molar refractivity
142.21
Supplementary Information
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