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CHEBI:37779 - cimicifoetiside A

ChEBI IDCHEBI:37779
ChEBI Namecimicifoetiside A
Stars
Last Modified8 March 2007
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC37H58O10
Net Charge0
Average Mass662.861
Monoisotopic Mass662.40300
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)O)[C@H](O)[C@@]21C
InChIInChI=1S/C37H58O10/c1-18-15-21-28(32(5,6)42)47-37(46-21)27(18)33(7)13-14-36-17-35(36)12-11-24(45-29-26(44-19(2)38)25(40)20(39)16-43-29)31(3,4)22(35)9-10-23(36)34(33,8)30(37)41/h18,20-30,39-42H,9-17H2,1-8H3/t18-,20+,21-,22+,23+,24+,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1
InChIKeyIGLQSEIGKREACI-VYWUFNEXSA-N
ChEBI Ontology
Outgoing Relation(s)
cimicifoetiside A (CHEBI:37779) is a cimicifoetiside (CHEBI:37781)
IUPAC Name 
(23R,24S)-15α,25-dihydroxy-16β,23:16α,24-diepoxy-9β,19-cyclolanostan-3β-yl 2-O-acetyl-α-L-arabinopyranoside
Synonym  Source
cimigenol 3-O-(2-O-acetyl-α-L-arabinopyranoside)ChEBI