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CHEBI:3450 - Cashmiradelphine

ChEBI IDCHEBI:3450
ChEBI NameCashmiradelphine
Stars
Last Modified12 February 2018
DownloadsMolfile
FormulaC37H52N2O11
Net Charge0
Average Mass700.826
Monoisotopic Mass700.35711
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N(CC)C[C@]4(COC(=O)c5ccccc5NC(=O)CCC(=O)OC)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C37H52N2O11/c1-7-39-18-34(19-50-32(42)20-10-8-9-11-23(20)38-26(40)12-13-27(41)47-4)15-14-25(46-3)36-22-16-21-24(45-2)17-35(43,28(22)29(21)48-5)37(44,33(36)39)31(49-6)30(34)36/h8-11,21-22,24-25,28-31,33,43-44H,7,12-19H2,1-6H3,(H,38,40)/t21-,22-,24+,25+,28-,29+,30-,31+,33?,34+,35-,36+,37-/m1/s1
InChIKeySVMCGAKQNRLCHV-RIBDQKFBSA-N
ChEBI Ontology
Outgoing Relation(s)
Cashmiradelphine (CHEBI:3450) is a diterpenoid (CHEBI:23849)
Synonyms  Source
CashmiradelphineKEGG COMPOUND
SeptentriodineKEGG COMPOUND
Manual XrefsDatabases
C08668KEGG COMPOUND
C00001624KNApSAcK
Registry NumbersSources
CAS:69787-05-9KEGG COMPOUND