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Structure Database (LMSD)

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Common Name

delta-Oleanolic acid

Systematic Name

Olean-13(18)-en-28-oic acid

Synonyms

LM ID

LMPR0106150059

Formula

C₃₀H₄₈O₃

Exact Mass

Calculate m/z

456.360345

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Olea europaea (#4146)

Magnoliopsida (#3398)

New triterpenes from the leaves of Olea europaea,
Phytochemistry, 1974

DOI: 10.1016/0031-9422(74)80249-9

String Representations

InChiKey (Click to copy)

URJXGGPELKALMS-HLYSYWIOSA-N

InChi (Click to copy)

InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,27-,28+,29+,30-/m0/s1

SMILES (Click to copy)

[C@@]12([C@]3(C)CC[C@]4(C(=O)O)C(CC(C)(C)CC4)=C3CC[C@]1([H])[C@]1(C)[C@]([H])(C(C)(C)[C@@H](O)CC1)CC2)C

Other Databases

PubChem CID

101768915

Calculated Physicochemical Properties

Heavy Atoms 33

Rings 5

Aromatic Rings

Rotatable Bonds 1

Van der Waals Molecular Volume 486.85

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 7.66

Molar Refractivity 133.26

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Created at

18th Feb 2022

Updated at