LIPID MAPS

Structure Database (LMSD)

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Common Name

Daturaolone

Systematic Name

6β-hydroxy-olean-12-en-3-one

Synonyms

3-oxo-6-beta-hydroxy-beta-amyrin

LM ID

LMPR0106150078

Formula

C₃₀H₄₈O₂

Exact Mass

Calculate m/z

440.365431

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Datura metel (#35625)

Magnoliopsida (#3398)

Potent In Vitro α-Glucosidase and β-Secretase Inhibition of Amyrin-Type Triterpenoid Isolated from Datura metel Linnaeus (Angel's Trumpet) Fruits.,
Biomed Res Int, 2020

Pubmed ID: 32908922

DOI: 10.1155/2020/8530165

String Representations

InChiKey (Click to copy)

YCTXVPCDHZMBHX-QCDSSADQSA-N

InChi (Click to copy)

InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-22,24,31H,10-18H2,1-8H3/t20-,21+,22+,24-,27+,28+,29+,30+/m0/s1

SMILES (Click to copy)

[C@@]12(C)C[C@@H](O)[C@@]3([H])C(C)(C)C(CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(CC[C@@]3(CC[C@@]21C)C)(C)C)=O