LIPID MAPS

Structure Database (LMSD)

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Common Name

Clathroid B

Systematic Name

12β,15β-dihydroxypregna-4,6-diene-3,20-dione

Synonyms

LM ID

LMST02030243

Formula

C₂₁H₂₈O₄

Exact Mass

Calculate m/z

344.19876

Sum Composition

ST 21:4;O4

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

YKHUQPRVWWUXTL-FKGJNOFZSA-N

InChi (Click to copy)

InChI=1S/C21H28O4/c1-11(22)15-9-17(24)19-14-5-4-12-8-13(23)6-7-20(12,2)16(14)10-18(25)21(15,19)3/h4-5,8,14-19,24-25H,6-7,9-10H2,1-3H3/t14-,15-,16+,17-,18-,19-,20+,21+/m1/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Clathria (#81539)

Demospongiae (#6042)

Anti-inflammatory pregnane-type steroid derivatives clathroids A-B from the marine Microcionidae sponge Clathria (Thalysias) vulpina: Prospective duel inhibitors of pro-inflammatory cyclooxygenase-2 and 5-lipoxygenase.,
Steroids, 2021

Pubmed ID: 33971206