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benzoylhypaconine

Go to external page http://purl.obolibrary.org/obo/CHEBI_132634

A diterpene alkaloid with formula C31H43NO9 that is isolated from several Aconitum species.

Term info

Label

benzoylhypaconine

Synonyms
  • 8,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14alpha-yl benzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
8,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14alpha-yl benzoate [ IUPAC ]

charge

0

formula

C31H43NO9

has obo namespace

chebi_ontology

has related synonym

14-O-Benzoylhypaconine, (1alpha,6alpha,14alpha,15alpha,16beta)-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate, Hypaconine 14-benzoate, 3-Deoxymesaconine 14-benzoate

id

CHEBI:132634

inchi

InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1

inchikey

MDFCJNFOINXVSU-SQZQQIIISA-N

mass

573.676

monoisotopicmass

573.29378

smiles

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