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cimicifoetiside B (CHEBI:37780)

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ChEBI Name cimicifoetiside B
ChEBI ID CHEBI:37780
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
Formula Source
C39H60O11 ChEBI
Net Charge 0
Average Mass 704.88710
InChI
InChI=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
InChIKey
DEEGQLBLXWGMCY-HNGFUVDTSA-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)OC(C)=O)O2
ChEBI Ontology
Outgoing 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 Sources
(23R,24S)-25-acetoxy-15α-hydroxy-16β,23:16α,24-diepoxy-9β,19-cyclolanostan-3β-yl 2-O-acetyl-α-L-arabinopyranoside ChEBI
25-O-acetylcimigenol 3-O-(2-O-acetyl-α-L-arabinopyranoside) ChEBI
Last Modified
08 March 2007

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