Structure Database (LMSD)

Common Name
epi-Maslinic acid
Systematic Name
(2α,3α)-2,3-dihydroxyolean-12-en-28-oic acid
Synonyms
LM ID
LMPR0106150030
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]
Oleanane triterpenoids [PR010615]

String Representations

InChiKey (Click to copy)
MDZKJHQSJHYOHJ-HFYZCPLSSA-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

Other Databases

CHEBI ID
66683
PubChem CID
25564831

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
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Updated at
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