LIPID MAPS

Structure Database (LMSD)

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Systematic Name

5α-cholesta-9(11)-en-3β, 20β-diol

Synonyms

LM ID

LMST01010486

Formula

C₂₇H₄₆O₂

Exact Mass

Calculate m/z

402.34978

Sum Composition

ST 27:1;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

DUSFFQDZSBTFKK-KYBHNSPTSA-N

InChi (Click to copy)

InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h13,18-22,24,28-29H,6-12,14-17H2,1-5H3/t19-,20-,21-,22-,24-,25-,26-,27-/m0/s1

SMILES (Click to copy)

C1C[C@H](O)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@](O)(C)CCCC(C)C)[C@@]4(C)CC=C3[C@@]12C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Acanthaster planci (#133434)

Asteroidea (#7588)

First report of steroid derivatives isolated from starfish Acanthaster planci with anti-bacterial, anti-cancer and anti-diabetic activities.,
Nat Prod Res, 2021

Pubmed ID: 34969331