LIPID MAPS

Structure Database (LMSD)

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Common Name

3-deacetoxy alfredensterol

Systematic Name

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

Synonyms

LM ID

LMST01010618

Formula

C₂₉H₄₆O₅

Exact Mass

Calculate m/z

474.334525

Sum Composition

ST 29:3;O5

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

IAZDMCZKCXIPPW-LEMQEMIMSA-N

InChi (Click to copy)

InChI=1S/C29H46O5/c1-16(2)7-10-24(31)17(3)20-8-9-21-19-13-25(32)23-14-26(33)27(34-18(4)30)15-29(23,6)22(19)11-12-28(20,21)5/h13,16-17,20-24,26-27,31,33H,7-12,14-15H2,1-6H3/t17-,20+,21-,22-,23+,24+,26+,27-,28+,29+/m0/s1

SMILES (Click to copy)

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