LIPID MAPS

Structure Database (LMSD)

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Common Name

Spongipregnoloside A

Systematic Name

3-O-(Rhaa1-2Glcb)-3β-hydroxy-pregna-5,16-dien-20-one

Synonyms

3beta-(alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyloxy)-pregna-5,16-dien-20-one
3-O-(alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl)-3beta-hydroxy-pregna-5,16-dien-20-one

LM ID

LMST02030217

Formula

C₃₃H₅₂O₁₁

Exact Mass

Calculate m/z

624.350966

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dioscorea spongiosa (#394307)

Magnoliopsida (#3398)

The Dioscorea genus: a review of bioactive steroid saponins,
J Nat Med, 2007

DOI: 10.1007/s11418-006-0126-3

String Representations

InChiKey (Click to copy)

RNGPDKGOULTCGD-XTMOBVPXSA-N

InChi (Click to copy)

InChI=1S/C33H52O11/c1-15(35)20-7-8-21-19-6-5-17-13-18(9-11-32(17,3)22(19)10-12-33(20,21)4)42-31-29(27(39)25(37)23(14-34)43-31)44-30-28(40)26(38)24(36)16(2)41-30/h5,16,18-31,34,36-40H,6-14H2,1-4H3/t16-,18-,19-,20+,21-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31+,32-,33+/m0/s1

SMILES (Click to copy)

[C@]12(CC=C3C[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)C)CC[C@@]21[H])[H]