LIPID MAPS

Structure Database (LMSD)

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Common Name

Craterol A

Systematic Name

4,24-dimethylene-cholest-5-en-3β-ol

Synonyms

LM ID

LMST01031158

Formula

C₂₉H₄₆O

Exact Mass

Calculate m/z

410.354865

Sum Composition

ST 29:3;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Stelletta (#253167)

Demospongiae (#6042)

Two new 4-methylidene containing steroids, craterol A and B, from the New Zealand two sponge association between Stelletta crater and Desmacella dendyi.,
Steroids, 2019

Pubmed ID: 30414424

String Representations

InChiKey (Click to copy)

VSJKXCBTFSMGQR-KSBRYJGGSA-N

InChi (Click to copy)

InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h11,18,20,22-23,25-27,30H,3,5,8-10,12-17H2,1-2,4,6-7H3/t20-,22+,23-,25+,26+,27+,28-,29+/m1/s1

SMILES (Click to copy)

[C@]12(CC=C3C(=C)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=C)C(C)C)CC[C@@]21[H])[H]