Structure database (LMSD)

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LM IDLMPR0106150027
Common Nameα-Boswellic acid
Systematic Name(4R)-3α-Hydroxyolean-12-en-24-oic acid
Synonyms-
Exact Mass
456.3603 (neutral)    Calculate m/z:
FormulaC30H48O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Oleanane triterpenoids [PR010615]
PubChem CID637234
InChIKeyBZXULBWGROURAF-IKNLXHIFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11
-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/
t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1
SMILESO[C@@H]1CC[C@@]2(C)[C@]([H])([C@]1(C(=O)O)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CCC(C)
(C)C[C@@]4([H])C3=CC[C@@]12[H]
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
486.85Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP7.52Molar
Refractivity
133.19