LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3β,7α,11-trihydroxy-24-methylene-9,11-secocholest-5-en-9-one

Synonyms

LM ID

LMST01031393

Formula

C₂₈H₄₆O₄

Exact Mass

Calculate m/z

446.339611

Sum Composition

ST 28:2;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sclerophytum (#3122587)

Anthozoa (#6101)

Discovery of undescribed steroids with anti-inflammatory and anti-hepatic fibrosis activities from the Formosan soft coral Sclerophytum leptoclados.,
RSC Adv, 2026

Pubmed ID: 42524205

DOI: 10.1039/d6ra01151a

String Representations

InChiKey (Click to copy)

ZLRSQRAIMVZBKG-AYLIVYOXSA-N

InChi (Click to copy)

InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)22-9-10-23(28(22,6)13-14-29)25-24(31)16-20-15-21(30)11-12-27(20,5)26(25)32/h16-17,19,21-25,29-31H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24-,25-,27+,28-/m1/s1

SMILES (Click to copy)

[C@]1([C@H](O)C=C2C[C@@H](O)CC[C@]2(C)C1=O)([H])[C@]1([H])CC[C@]([H])([C@@](C)([H])CCC(=C)C(C)C)[C@@]1(C)CCO