LIPID MAPS

Structure Database (LMSD)

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Common Name

Evasterioside C

Systematic Name

3β-(β-D-xylopyranosyloxy)-6β,8β,15α-trihydroxy-24-nor-cholest-22E-en-26-yl sulfate

Synonyms

(20R,22E)-3-O-(beta-D-xylopyranosyl)-24-nor-5alpha-cholest-22-ene-3beta,6beta,8,15alpha,26-pentaol 26-sulfate

LM ID

LMST05050008

Formula

C₃₁H₅₂O₁₂S

Exact Mass

Calculate m/z

648.317952

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Evasterias (#7615)

Asteroidea (#7588)

[Steroid compounds from two pacific starfish of the genus Evasterias].,
Bioorg Khim, 2009

Pubmed ID: 19377532

String Representations

InChiKey (Click to copy)

XTZUZEHRZOFJOF-HDDSMCDFSA-N

InChi (Click to copy)

InChI=1S/C31H52O12S/c1-16(14-42-44(38,39)40)5-6-17(2)19-12-21(32)27-30(19,4)10-8-24-29(3)9-7-18(11-20(29)22(33)13-31(24,27)37)43-28-26(36)25(35)23(34)15-41-28/h5-6,16-28,32-37H,7-15H2,1-4H3,(H,38,39,40)/b6-5+/t16?,17-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27-,28+,29+,30-,31+/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/C(C)COS(O)(=O)=O)C[C@H](O)[C@@]4([H])[C@]3(O)C[C@@H](O)[C@@]2([H])C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1