LIPID MAPS

Structure Database (LMSD)

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Systematic Name

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

Synonyms

3-O-(alpha-l-rhamnopyranosyl-(1-2)-(alpha-L-rhamnopyranosyl-(1-4))-beta-D-glucopyranosyl)-26-O-(beta-D-glucopyranosyl)-(25R)-furost-5-ene-3beta,22,26-triol

LM ID

LMST01070012

Formula

C₅₁H₈₄O₂₂

Exact Mass

Calculate m/z

1048.54543

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dioscorea (#4672)

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)

LVTJOONKWUXEFR-UEZXSUPNSA-N

InChi (Click to copy)

InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,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+,51-/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](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](C)CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)(O)O[C@H]3C[C@@]21[H])C)[H]