Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0106150014
Common NameGlycyrrhetinic acid (W)
Systematic Name-
SynonymsUralenic acid
Exact Mass
470.3396 (neutral)    Calculate m/z:
FormulaC30H46O4
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Oleanane triterpenoids [PR010615]
PubChem CID10114
KEGG IDC02283
HMDB IDHMDB11628
CHEBI ID30853
InChIKeyMPDGHEJMBKOTSU-YKLVYJNSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-1
7-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,
(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
SMILESC1C[C@H](O)[C@@](C)(C)[C@]2([H])CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C)(CC[C@](
C)(C(O)=O)C5)CC4)=CC(=O)[C@]3([H])[C@@]12C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms34Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
493.00Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.70Molar
Refractivity
133.58