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Structure Database (LMSD)

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Common Name

Anthenoside A1

Systematic Name

16α-(4-O-methyl-2-acetamido-2-deoxy-β-D-glucopyranosyloxy)-5α-cholest-8(14),24(28)-dien-3α,6β,7β-triol

Synonyms

(20R)-16-O-(2-acetamido-2-deoxy-4-O-methyl-beta-d-glucopyranosyl)-24-methylene-5alpha-cholesta-8(14),24(28)-diene-3alpha,6beta,7beta,16alpha-tetraol

LM ID

LMST05050054

Formula

C₃₇H₆₁NO₉

Exact Mass

Calculate m/z

663.434634

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

CVCLIHGRYJSGFE-GEFHDSNDSA-N

InChi (Click to copy)

InChI=1S/C37H61NO9/c1-18(2)19(3)9-10-20(4)29-26(46-35-30(38-21(5)40)33(44)34(45-8)27(17-39)47-35)16-24-28-23(12-14-37(24,29)7)36(6)13-11-22(41)15-25(36)31(42)32(28)43/h18,20,22-23,25-27,29-35,39,41-44H,3,9-17H2,1-2,4-8H3,(H,38,40)/t20-,22-,23+,25-,26-,27-,29+,30-,31+,32-,33-,34-,35-,36-,37+/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)C)[C@H](O[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](OC)[C@@H](CO)O5)CC4=C3[C@@H](O)[C@@H](O)[C@@]2([H])C[C@H](O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Anthenea aspera (#2769427)

Asteroidea (#7588)

Two New Steroidal Monoglycosides, Anthenosides A₁ and A₂, and Revision of the Structure of Known Anthenoside A with Unusual Monosaccharide Residue from the Starfish Anthenea aspera.,
Molecules, 2018

Pubmed ID: 29751557

DOI: 10.3390/molecules23051077