LIPID MAPS

Structure Database (LMSD)

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Common Name

Pandaroside A

Systematic Name

3β-[β-glucopyranosyl-(1-2)-β-glucopyranosyloxyuronic acid]-16-hydroxy-5α,14β-poriferast-16-ene-15,23-dione

Synonyms

LM ID

LMST05050003

Formula

C₄₁H₆₄O₁₅

Exact Mass

Calculate m/z

796.424525

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

Pandaros acanthifolium (#458511)

Demospongiae (#6042)

Steroidal glycosides from the marine sponge Pandaros acanthifolium.,
Steroids, 2009

Pubmed ID: 19541002

String Representations

InChiKey (Click to copy)

QPUIFPMHOWTNLK-UVKPFFOZSA-N

InChi (Click to copy)

InChI=1S/C41H64O15/c1-7-21(17(2)3)24(43)14-18(4)26-29(45)30(46)27-22-9-8-19-15-20(10-12-40(19,5)23(22)11-13-41(26,27)6)53-39-36(33(49)32(48)35(55-39)37(51)52)56-38-34(50)31(47)28(44)25(16-42)54-38/h17-23,25,27-28,31-36,38-39,42,44-45,47-50H,7-16H2,1-6H3,(H,51,52)/t18-,19+,20+,21-,22-,23+,25-,27+,28-,31+,32+,33+,34-,35+,36-,38+,39-,40+,41-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)C([C@]([H])(C)CC(=O)[C@H](CC)C(C)C)=C(O)C(=O)[C@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)C1