LIPID MAPS

Structure Database (LMSD)

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Common Name

Pfaffiaglycoside E

Systematic Name

25-O-(β-D-glucopyranosyl)- 2β,3β,6,20R,22R,25-hexahydroxycholesta-5,8(9),14-trien-7-one

Synonyms

Calonysterone 25-glucoside

LM ID

LMST01010611

Formula

C₃₃H₅₀O₁₂

Exact Mass

Calculate m/z

638.33023

Sum Composition

ST 27:4;O7;Hex

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

SZPVVBHNIBWBTH-FZMPPQESSA-N

InChi (Click to copy)

InChI=1S/C33H50O12/c1-30(2,45-29-28(42)27(41)25(39)20(14-34)44-29)10-9-22(37)33(5,43)21-7-6-15-23-16(8-11-31(15,21)3)32(4)13-19(36)18(35)12-17(32)24(38)26(23)40/h6,18-22,25,27-29,34-39,41-43H,7-14H2,1-5H3/t18-,19+,20-,21+,22-,25-,27+,28-,29+,31+,32-,33-/m1/s1

SMILES (Click to copy)

C12C(=O)C(=C3C[C@@H](O)[C@@H](O)C[C@]3(C)C=1CC[C@@]1(C)C2=CC[C@]1([H])[C@](O)(C)[C@H](O)CCC(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(C)C)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Pfaffia glomerata (#221785)

Magnoliopsida (#3398)

Brazilian natural medicines. IV. New noroleanane-type triterpene and ecdysterone-type sterol glycosides and melanogenesis inhibitors from the roots of Pfaffia glomerata.,
Chem Pharm Bull (Tokyo), 2010

Pubmed ID: 20460798