LIPID MAPS

Structure Database (LMSD)

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Common Name

Verongulasterol

Systematic Name

24R,26,27-trimethyl-cholesta-5,25E-dien-3β-ol

Synonyms

LM ID

LMST01031032

Formula

C₃₀H₅₀O

Exact Mass

Calculate m/z

426.386165

Sum Composition

ST 30:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Verongula (#289406)

Demospongiae (#6042)

Minor and trace sterols in marine invertebrates IX. Verongulasterol - a marine sterol with a novel side chain alkylation pattern,
Tetrahedron Letts, 1978

DOI: 10.1016/S0040-4039(01)95227-X

String Representations

InChiKey (Click to copy)

TXTZTDWLVNWWJI-AMYMAUAJSA-N

InChi (Click to copy)

InChI=1S/C30H50O/c1-7-22(8-2)20(3)9-10-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h7,11,20-21,24-28,31H,8-10,12-19H2,1-6H3/b22-7+/t20-,21-,24+,25+,26-,27+,28+,29+,30-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)/C(=C/C)/CC)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1