LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2R-(4-hydroxy-1'S-methyl-5'E,7'Z-nonadecadienyl)-1,3-dioxolan-4S-yl-methanol

Synonyms

LM ID

LMFA12000406

Formula

C₂₄H₄₄O₄

Exact Mass

Calculate m/z

396.323961

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Leucetta sp. (#81546)

Calcarea (#27929)

Structure Determination of 1,3-Dioxolane-Containing Lipids from the Marine Sponge Leucetta sp. Using Chiral ¹H NMR Analysis of Model Systems.,
J Nat Prod, 2024

Pubmed ID: 39018480

String Representations

InChiKey (Click to copy)

BHARHZOAFZGPCF-KBUXKIEISA-N

InChi (Click to copy)

InChI=1S/C24H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)21(2)24-27-20-22(19-25)28-24/h15-18,21-26H,3-14,19-20H2,1-2H3/b16-15-,18-17+/t21-,22-,23?,24+/m0/s1

SMILES (Click to copy)

[C@@H]1(CO)O[C@](OC1)([H])[C@@H](C)C(O)/C=C/C=C\CCCCCCCCCCCCC