LIPID MAPS

Structure Database (LMSD)

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Common Name

Shatavarin I

Systematic Name

3-O-{[β-d-glucopyranosyl(1-2)][α-l-rhamnopyranosyl(1-4)]-β-d-glucopyranosyl}-26-O-(β-d-glucopyranosyl)-(25S)-5β-furostan-3β,22α,26-triol

Synonyms

LM ID

LMST01070029

Formula

C₅₀H₈₄O₂₃

Exact Mass

Calculate m/z

1052.540345

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Asparagus racemosus (#272846)

Magnoliopsida (#3398)

Structural revision of shatavarins I and IV, the major components from the roots of Asparagus racemosus,
Tetrahedron Letts, 2006

DOI: 10.1016/j.tetlet.2006.07.121

String Representations

InChiKey (Click to copy)

KHDVZUYCHDCTDW-BLPNKWKJSA-N

InChi (Click to copy)

InChI=1S/C50H84O23/c1-19(65-44-39(61)36(58)33(55)28(16-51)68-44)8-13-50(64)20(2)31-27(73-50)15-26-24-7-6-22-14-23(9-11-48(22,4)25(24)10-12-49(26,31)5)67-47-43(72-46-40(62)37(59)34(56)29(17-52)69-46)41(63)42(30(18-53)70-47)71-45-38(60)35(57)32(54)21(3)66-45/h19-47,51-64H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49-,50+/m0/s1

SMILES (Click to copy)

O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1CC[C@@]2([C@@]3([C@@]([C@]4([C@](CC3)([C@@H]3[C@H](C4)O[C@@]([C@H]3C)(CC[C@@H](O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C)O)C)[H])([H])CC[C@@]2(C1)[H])[H])C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O