LIPID MAPS

Structure Database (LMSD)

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Common Name

Hesperuside B

Systematic Name

7-O-(6-O-methyl-β-D-galactofuranosyl)-16-O-(3-O-methyl-β-D-galactopyranosyl)-cholest-8(14)-en-3α,6β,7β,16αtetrol

Synonyms

LM ID

LMST05050033

Formula

C₄₁H₇₀O₁₄

Exact Mass

Calculate m/z

786.47656

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Craspidaster hesperus (#1246603)

Asteroidea (#7588)

Three New Cytotoxic Polyhydroxysteroidal Glycosides from Starfish Craspidaster hesperus.,
Mar Drugs, 2016

Pubmed ID: 27775561

DOI: 10.3390/md14100189

String Representations

InChiKey (Click to copy)

NGFVQGAMMXFKFO-YPPQLWNWSA-N

InChi (Click to copy)

InChI=1S/C41H70O14/c1-19(2)9-8-10-20(3)29-26(52-39-34(49)37(51-7)31(46)27(17-42)53-39)16-23-28-22(12-14-41(23,29)5)40(4)13-11-21(43)15-24(40)30(45)36(28)55-38-33(48)32(47)35(54-38)25(44)18-50-6/h19-22,24-27,29-39,42-49H,8-18H2,1-7H3/t20-,21-,22+,24-,25-,26-,27-,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,39-,40-,41+/m1/s1

SMILES (Click to copy)

C1C[C@@H](O)C[C@]2([H])[C@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H]([C@@H](COC)O)O3)C3=C4C[C@@H](O[C@H]5[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](CO)O5)[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C