LIPID MAPS

Structure Database (LMSD)

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Common Name

Evasterioside A

Systematic Name

(25S)-3β-(β-D-xylopyranosyloxy)-6β,8,15α-trihydroxy-5α-campest-22E-en-26-yl sulfate

Synonyms

(20R,22E,24R,25S)-3-O-(beta-D-xylopyranosyl)-24-methyl-5alpha-cholest-22-ene-3beta,6beta,8,15alpha,26-pentol 26-sulfate

LM ID

LMST05050012

Formula

C₃₃H₅₆O₁₂S

Exact Mass

Calculate m/z

676.349252

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Evasterias retifera (#431635)

Asteroidea (#7588)

Evasteriosides A and B and other sulfated steroids from the Pacific starfish Evasterias retifera,
Russian Chemical Bulletin, 2008

DOI: 10.1007/s11172-008-0347-6

String Representations

InChiKey (Click to copy)

YWTLHWYRVSPWOJ-ZVCZZSFPSA-N

InChi (Click to copy)

InChI=1S/C33H56O12S/c1-17(19(3)15-44-46(40,41)42)6-7-18(2)21-13-23(34)29-32(21,5)11-9-26-31(4)10-8-20(12-22(31)24(35)14-33(26,29)39)45-30-28(38)27(37)25(36)16-43-30/h6-7,17-30,34-39H,8-16H2,1-5H3,(H,40,41,42)/b7-6+/t17-,18-,19-,20+,21-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+/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@@H](C)[C@@H](COS(O)(=O)=O)C)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