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Structure Database (LMSD)

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Common Name

Limnantheoside C

Systematic Name

3-O-(β-D-glucopyranosyl-[1-3]-β-D-xylopyranosyl)-2β,3β,14α,20R,22R,25-hexahydroxy-5β-cholest-7-en-6-one

Synonyms

20-hydroxyecdysone 3-O-beta-D-glucopyranosyl-[1-3]-beta-D-xylopyranoside

LM ID

LMST01010568

Formula

C₃₈H₆₂O₁₆

Exact Mass

Calculate m/z

774.40379

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)

CLHMVLWTBMDTQO-MBTHFRRRSA-N

InChi (Click to copy)

InChI=1S/C38H62O16/c1-34(2,48)9-8-26(43)37(5,49)25-7-11-38(50)18-12-20(40)19-13-23(21(41)14-35(19,3)17(18)6-10-36(25,38)4)52-32-30(47)31(22(42)16-51-32)54-33-29(46)28(45)27(44)24(15-39)53-33/h12,17,19,21-33,39,41-50H,6-11,13-16H2,1-5H3/t17-,19-,21-,22+,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33-,35+,36+,37+,38+/m0/s1

SMILES (Click to copy)

O([C@@H]1C[C@@]2([C@@]([C@@]3(C([C@]4([C@](CC3)([C@@](CC4)([H])[C@@]([C@@H](CCC(C)(C)O)O)(C)O)C)O)=CC2=O)[H])(C[C@@H]1O)C)[H])[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O)CO1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Limnanthes alba (#42439)

Magnoliopsida (#3398)

Limnantheoside C (20-hydroxyecdysone 3-O-beta-D-glucopyranosyl-[1-->3]-beta-D-xylopyranoside), a phytoecdysteroid from seeds of Limnanthes alba (limnanthaceae).,
Z Naturforsch C J Biosci, 2001

Pubmed ID: 11837689