이름: (1S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-1-isopropyl-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
SMILES:
COC(=O)c1ccc([C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H](C(C)C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1Molecular Processing
Molecular formula
C38H56O4
Molecular weight
576.86
Exact mass
576.4179
XLogP
9.38
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
42
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
167.15
Supplementary Information
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