Structure Database (LMSD)
Common Name
Bassic acid
Systematic Name
(4R)-2β,3β,23-trihydroxy-oleana-5,12-dien-28-oic acid
Synonyms
3D model of Bassic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
FJGGNIPUSLFYJJ-NIOQJKBVSA-N
InChi (Click to copy)
InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,9,19-20,22-23,31-33H,8,10-17H2,1-6H3,(H,34,35)/t19-,20-,22-,23-,26+,27-,28+,29+,30-/m0/s1
SMILES (Click to copy)
C1[C@H](O)[C@H](O)[C@@](C)(CO)C2=CC[C@@]3(C)[C@@]4(CC[C@@]5(C(=O)O)CCC(C)(C)C[C@@]5([H])C4=CC[C@@]3([H])[C@]12C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
5
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
501.79
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
5.95
Molar Refractivity
136.97
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Created at
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Updated at
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