이름: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-benzyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
SMILES:
C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C37H54O3
Molecular weight
546.84
Exact mass
546.4073
XLogP
8.75
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
40
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.757
Molar refractivity
161.21
Supplementary Information
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