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benzoylmesaconine

Go to external page http://purl.obolibrary.org/obo/CHEBI_132630

A diterpene alkaloid with formula C31H43NO10 that is isolated from several Aconitum species.

Term info

Label

benzoylmesaconine

Synonyms
  • 3alpha,8,13,15alpha-tetrahydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14alpha-yl benzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
3alpha,8,13,15alpha-tetrahydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14alpha-yl benzoate [ IUPAC ]

charge

0

formula

C31H43NO10

has obo namespace

chebi_ontology

has related synonym

Mesaconine 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate, 14-benzoylmesaconine

id

CHEBI:132630

inchi

InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1

inchikey

PULWZCUZNRVAHT-IJNXHYLPSA-N

mass

589.675

monoisotopicmass

589.28870

smiles

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