LIPID MAPS

Structure Database (LMSD)

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Common Name

Echinasteroside C 15-O-sulfate

Systematic Name

(25S)-3β-(2-O-methyl-β-D-xylopyranosyloxy)-6β,8,16β,26-tetrahydroxycholest-5-en-15α-yl sulfate

Synonyms

LM ID

LMST05050018

Formula

C₃₃H₅₆O₁₃S

Exact Mass

Calculate m/z

692.344167

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Hippasteria (#136939)

Asteroidea (#7588)

Steroidal monoglycosides from the Far Eastern starfish Hippasteria kurilensis and hypothetic pathways of polyhydroxysteroid biosynthesis in starfish.,
Steroids, 2009

Pubmed ID: 19059276

String Representations

InChiKey (Click to copy)

QYHOJVXSEUBPHK-KGFVJONFSA-N

InChi (Click to copy)

InChI=1S/C33H56O13S/c1-17(15-34)7-6-8-18(2)24-26(38)27(46-47(40,41)42)29-32(24,4)12-10-23-31(3)11-9-19(13-20(31)21(35)14-33(23,29)39)45-30-28(43-5)25(37)22(36)16-44-30/h13,17-19,21-30,34-39H,6-12,14-16H2,1-5H3,(H,40,41,42)/t17-,18+,19-,21+,22+,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33-/m0/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](CO)C)[C@@H](O)[C@H](OS(O)(=O)=O)[C@@]4([H])[C@]3(O)C[C@@H](O)C2=C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC)C1