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CHEBI:166832 - colforsin daropate(1+)

ChEBI IDCHEBI:166832
ChEBI Namecolforsin daropate(1+)
Stars
DefinitionA tertiary ammonium ion that is the conjugate acid of colforsin daropate, resulting from the protonation of the tertiary amine group. Major species at pH 7.3.
Last Modified12 November 2020
SubmitterAdnan
DownloadsMolfile
FormulaC27H44NO8
Net Charge+1
Average Mass510.648
Monoisotopic Mass510.30614
SMILES[H][C@@]12[C@H](OC(=O)CC[NH+](C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@@](C)(C=C)CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C
InChIInChI=1S/C27H43NO8/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24/h10,17,20-22,30,33H,1,11-15H2,2-9H3/p+1/t17-,20-,21-,22-,24-,25-,26+,27-/m0/s1
InChIKeyRSOZZQTUMVBTMR-XGUNBQNXSA-O
ChEBI Ontology
Outgoing Relation(s)
colforsin daropate(1+) (CHEBI:166832) is a tertiary ammonium ion (CHEBI:137982)
colforsin daropate(1+) (CHEBI:166832) is conjugate acid of colforsin daropate (CHEBI:166826)
Incoming Relation(s)
colforsin daropate hydrochloride (CHEBI:31429) has part colforsin daropate(1+) (CHEBI:166832)
colforsin daropate (CHEBI:166826) is conjugate base of colforsin daropate(1+) (CHEBI:166832)
IUPAC Name 
3-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-6-yl]oxy}-N,N-dimethyl-3-oxopropan-1-aminium
Synonyms  Source
3-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl]oxy}-N,N-dimethyl-3-oxopropan-1-aminiumIUPAC
colforsin daropate cationChEBI
colforsin dapropate(1+)ChEBI