Structure Database (LMSD)

HO HO OH O H H H
Common Name
Maslinic acid
Systematic Name
2α,3β-dihydroxyurs-12-en-29-oic acid
Synonyms
LM ID
LMPR0106180014
Formula
C30H48O4
Exact Mass
Calculate m/z
472.35526
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Taraxastane, ursane and bauerane triterpenoids [PR010618]

String Representations

InChiKey (Click to copy)
MDZKJHQSJHYOHJ-LLICELPBSA-N
InChi (Click to copy)
InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
SMILES (Click to copy)
CC1([C@@H](O)[C@@H](C[C@]2(C)[C@]3(CC=C4[C@]5([H])CC(C)(CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CC[C@@]12[H])C)C)[H])O)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Olea europaea (#4146)
Magnoliopsida (#3398)
New triterpenes from the leaves of Olea europaea,
Phytochemistry, 1974

Other Databases

KEGG ID
C16939
HMDB ID
HMDB0002392
CHEBI ID
66682
PubChem CID
73659

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 495.64
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.78
Molar Refractivity 135.10

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Created at
-
Updated at
18th Feb 2022