LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Asteriidoside L

Systematic Name

3β-(β-D-xylopyranosyloxy)-6β,8β,15α-trihydroxy-campest-22E-en-28-yl sulfate

Synonyms

LM ID

LMST05050011

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

Asteriidae (#7600)

Asteroidea (#7588)

Starfish saponins. 55. Isolation, structure elucidation, and biological activity of the steroid oligoglycosides from an Antarctic starfish of the family Asteriidae.,
J Nat Prod, 1998

Pubmed ID: 9834144

String Representations

InChiKey (Click to copy)

HOPGMEPQEXMAFV-DZHKRNPFSA-N

InChi (Click to copy)

InChI=1S/C33H56O12S/c1-17(2)19(15-44-46(40,41)42)7-6-18(3)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+/t18-,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](COS(=O)(O)=O)C(C)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