CHEBI:166832 - colforsin daropate(1+)

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ChEBI Name colforsin daropate(1+)
ChEBI ID CHEBI:166832
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H44NO8
Net Charge +1
Average Mass 510.647
Monoisotopic Mass 510.30614
InChI InChI=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
InChIKey RSOZZQTUMVBTMR-XGUNBQNXSA-O
SMILES [H][C@@]12[C@H](OC(=O)CC[NH+](C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C
ChEBI Ontology
Outgoing 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 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 Sources
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-aminium IUPAC
colforsin dapropate(1+) ChEBI
colforsin daropate cation ChEBI
Last Modified
12 November 2020