LIPID MAPS

Structure Database (LMSD)

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Common Name

14alpha-hydroxyalfredensterol

Systematic Name

2β,3β-diacetoxy-15α,22R-dihydroxy-5α-cholest-7-en-6-one

Synonyms

LM ID

LMST01010617

Formula

C₃₁H₄₈O₇

Exact Mass

Calculate m/z

532.340005

Sum Composition

ST 31:4;O7

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BBLCXUCWSOCCBI-HDERFBHZSA-N

InChi (Click to copy)

InChI=1S/C31H48O7/c1-17(2)8-9-25(34)18(3)21-11-13-31(36)23-14-26(35)24-15-27(37-19(4)32)28(38-20(5)33)16-29(24,6)22(23)10-12-30(21,31)7/h14,17-18,21-22,24-25,27-28,34,36H,8-13,15-16H2,1-7H3/t18-,21+,22-,24+,25+,27+,28-,29+,30+,31+/m0/s1

SMILES (Click to copy)

C12=CC([C@@]3([H])C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@H](C)[C@H](O)CCC(C)C)[H])=O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Laurencia alfredensis (#1982689)

Florideophyceae (#2806)

Isolation, Characterization and Antiproliferative Activity of New Metabolites from the South African Endemic Red Algal Species Laurencia alfredensis.,
Molecules, 2017

Pubmed ID: 28333106