LIPID MAPS

Structure Database (LMSD)

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Common Name

Combretanone A

Systematic Name

7β,23,24,25-tetrahydroxy-9β,19-cyclolanostan-3-one

Synonyms

LM ID

LMST01100057

Formula

C₃₀H₅₀O₅

Exact Mass

Calculate m/z

490.365825

Sum Composition

ST 30:2;O5

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

SOMSTXFUASXCDL-WFZZFCONSA-N

InChi (Click to copy)

InChI=1S/C30H50O5/c1-17(14-20(32)24(34)26(4,5)35)18-8-10-28(7)23-19(31)15-21-25(2,3)22(33)9-11-29(21)16-30(23,29)13-12-27(18,28)6/h17-21,23-24,31-32,34-35H,8-16H2,1-7H3/t17-,18-,19+,20?,21+,23+,24?,27-,28+,29-,30+/m1/s1

SMILES (Click to copy)

[C@@]123CC[C@]4(C)[C@]([H])(CC[C@@]4(C)[C@]1([H])[C@@H](O)C[C@@]1([H])C(C)(C)C(CC[C@]21C3)=O)[C@H](C)CC(O)C(O)C(O)(C)C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Combretum (#99434)

Magnoliopsida (#3398)

Cycloartane triterpenes isolated from Combretum quadrangulare in a screening program for death-receptor expression enhancing activity.,
J Nat Prod, 2011

Pubmed ID: 21265555