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CHEBI:37780 - cimicifoetiside B

ChEBI IDCHEBI:37780
ChEBI Namecimicifoetiside B
Stars
Last Modified8 March 2007
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H60O11
Net Charge0
Average Mass704.898
Monoisotopic Mass704.41356
SMILES[H][C@@]12CC[C@@]3([H])C(C)(C)[C@@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4OC(C)=O)CC[C@@]34C[C@@]14CC[C@]1(C)[C@@]3([H])[C@H](C)C[C@@]4([H])O[C@@]3(O[C@@H]4C(C)(C)OC(C)=O)[C@H](O)[C@@]21C
InChIInChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(46-20(2)40)27(43)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22+,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1
InChIKeyDEEGQLBLXWGMCY-HNGFUVDTSA-N
ChEBI Ontology
Outgoing Relation(s)
cimicifoetiside B (CHEBI:37780) is a cimicifoetiside (CHEBI:37781)
IUPAC Name 
(23R,24S)-3β-(2-O-acetyl-α-L-arabinopyranosyloxy)-15α-hydroxy-16β,23:16α,24-diepoxy-9β,19-cyclolanostan-25-yl acetate
Synonyms  Source
25-O-acetylcimigenol 3-O-(2-O-acetyl-α-L-arabinopyranoside)ChEBI
(23R,24S)-25-acetoxy-15α-hydroxy-16β,23:16α,24-diepoxy-9β,19-cyclolanostan-3β-yl 2-O-acetyl-α-L-arabinopyranosideChEBI