LIPID MAPS

Structure Database (LMSD)

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Common Name

Parisvanioside E

Systematic Name

26-O-β-d-glucopyranosyl-(25R)-3β,22α,26-trihydroxyfurost-5,7-dien- 3-O-α-l-rhamnopyranosyl-(1-2)-β-d-glucopyranoside

Synonyms

LM ID

LMST01070024

Formula

C₄₅H₇₂O₁₈

Exact Mass

Calculate m/z

900.47187

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Paris vaniotii (#374967)

Magnoliopsida (#3398)

Parisvaniosides A-E, five new steroidal saponins from Paris vaniotii,
Steroids, 2021

Pubmed ID: 34896125

String Representations

InChiKey (Click to copy)

TUILFQMGHQOVIW-PTBRMSFESA-N

InChi (Click to copy)

InChI=1S/C45H72O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h6-7,19-21,23,25-42,46-56H,8-18H2,1-5H3/t19-,20+,21+,23+,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41+,42-,43+,44+,45-/m1/s1

SMILES (Click to copy)

C1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC2[C@@](C)([C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@@](CC[C@@H](C)CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@@H](CO)O6)(O[C@H]5C[C@@]4([H])C3=CC=2)O)C)C1