LIPID MAPS

Structure Database (LMSD)

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Common Name

Craterol B

Systematic Name

4-methylidene-24Z-ethylidene-cholest-5-en-3β-ol

Synonyms

LM ID

LMST01040268

Formula

C₃₀H₄₈O

Exact Mass

Calculate m/z

424.370515

Sum Composition

ST 30:3;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

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)

AUCIWPPLYCDGLT-VIAQXFFJSA-N

InChi (Click to copy)

InChI=1S/C30H48O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,12,19-20,23-24,26-28,31H,5,9-11,13-18H2,1-4,6-7H3/b22-8-/t20-,23+,24-,26+,27+,28+,29-,30+/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])CC/C(=C/C)/C(C)C)CC[C@@]21[H])[H]