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    The database and ontology of Chemical Entities of Biological Interest

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cimicifoetiside A (CHEBI:37779)

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ChEBI Name cimicifoetiside A
ChEBI ID CHEBI:37779
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
Formula Source
C37H58O10 ChEBI
Net Charge 0
Average Mass 662.85042
InChI
InChI=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
InChIKey
IGLQSEIGKREACI-VYWUFNEXSA-N
SMILES
[H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7OC(C)=O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)(C)O)O2
ChEBI Ontology
Outgoing 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
Last Modified
08 March 2007

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