LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3-O-(Rhaa1-4Rhaa(Rhaa1-2)Glcb)-26-O-(Glcb)-22-methoxy-25(R)-furost-5-en-3β,26-diol

Synonyms

26-O-beta-D-glucopyranosyl-22-methoxy-3beta,26-dihydroxy-25(R)-furost-5-ene-3-O-alpha-L-rhamnopyranosyl-(1-4)-alpha-L-rhamnopyranosyl-(1-4)-[alpha-L-rhamnopyranosyl-(1-2)]-beta-D-glucopyranoside

LM ID

LMST01070004

Formula

C₅₈H₉₆O₂₆

Exact Mass

Calculate m/z

1208.61899

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dioscorea cayenensis (#29710)

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)

QOMDDBWJPPDIMF-XEFZBYGMSA-N

InChi (Click to copy)

InChI=1S/C58H96O26/c1-22(21-74-51-43(68)41(66)38(63)33(19-59)79-51)11-16-58(73-8)23(2)35-32(84-58)18-31-29-10-9-27-17-28(12-14-56(27,6)30(29)13-15-57(31,35)7)78-55-50(83-53-45(70)40(65)37(62)25(4)76-53)47(72)49(34(20-60)80-55)82-54-46(71)42(67)48(26(5)77-54)81-52-44(69)39(64)36(61)24(3)75-52/h9,22-26,28-55,59-72H,10-21H2,1-8H3/t22-,23+,24+,25+,26+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43-,44-,45-,46-,47+,48+,49-,50-,51-,52+,53+,54+,55-,56+,57+,58-/m1/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]5[C@H](O)[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@H](C)O5)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3[C@@H]([C@](CC[C@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C)(OC)O[C@H]3C[C@@]21[H])C)[H]