LIPID MAPS

Structure Database (LMSD)

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Common Name

Axinyssasterol

Systematic Name

24E-ethylidene-25-methylcholest-5-en-3β-ol

Synonyms

25-methylfucosterol

LM ID

LMST01040165

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

Porifera (#6040)

Minor and trace sterols in marine invertebrates 40. Structure and synthesis of axinyssasterol, 25-methylfucosterol and 24-ethyl-24-methylcholesterol -- novel sponge sterols with highly branched side chains,
Tetrahedron Letts, 1983

DOI: 10.1016/S0040-4039(00)81493-8

String Representations

InChiKey (Click to copy)

LGTNGUBXDMOGTF-HAVTVLGJSA-N

InChi (Click to copy)

InChI=1S/C30H50O/c1-8-21(28(3,4)5)10-9-20(2)25-13-14-26-24-12-11-22-19-23(31)15-17-29(22,6)27(24)16-18-30(25,26)7/h8,11,20,23-27,31H,9-10,12-19H2,1-7H3/b21-8+/t20-,23+,24+,25-,26+,27+,29+,30-/m1/s1

SMILES (Click to copy)

[C@@]12([H])CC=C3C[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)C)CC[C@@]21[H]