Structure Database (LMSD)
Common Name
Medicagenic acid
Systematic Name
(4S)-2β,3β-Dihydroxyolean-12-ene-23,28-dioic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Medicagenic 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)
IDGXIXSKISLYAC-WNTKNEGGSA-N
InChi (Click to copy)
InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
SMILES (Click to copy)
[C@]12([H])CC=C3[C@]4([H])CC(CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])[C@](C)(C(=O)O)[C@H]([C@@H](O)C[C@]21C)O)C(=O)O)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
5
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
510.58
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
5.84
Molar Refractivity
137.06
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Created at
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Updated at
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