LIPID MAPS

Structure Database (LMSD)

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Common Name

Prosapogenin A

Systematic Name

3-O-(Rhaa1-2Glcb)-(25R)-spirost-5en-3β-ol

Synonyms

(25R)-spirost-5en-3beta-ol 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside

LM ID

LMST01080089

Formula

C₃₉H₆₂O₁₂

Exact Mass

Calculate m/z

722.42413

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dioscorea tokoro (#64475)

Magnoliopsida (#3398)

Structures of prosapogenin-B and -A of dioscin and cooccurrence of B with dioscin in the rhizoma of Dioscorea tokoro Makino.,
Chem Pharm Bull (Tokyo), 1968

Pubmed ID: 5706814

String Representations

InChiKey (Click to copy)

HDXIQHTUNGFJIC-FOAHKCLGSA-N

InChi (Click to copy)

InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1

SMILES (Click to copy)

O([C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1)[C@@H]1CC2=CC[C@@]3([H])[C@]4([H])C[C@@H]5O[C@]6([C@@H](C)[C@@H]5[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1)OC[C@H](C)CC6