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benzoylaconine

Go to external page http://purl.obolibrary.org/obo/CHEBI_132633

A diterpene alkaloid with formula C32H45NO10 that is isolated from several Aconitum species.

Term info

Label

benzoylaconine

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

3_STAR

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

charge

0

formula

C32H45NO10

has obo namespace

chebi_ontology

has related synonym

Picraconitine, 14-O-benzoylaconine, Benzaconine, 14-Benzoylaconine, aconine 14-benzoate, aconine benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate

id

CHEBI:132633

inchi

InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1

inchikey

DHJXZSFKLJCHLH-KYSNEVMMSA-N

mass

603.702

monoisotopicmass

603.30435

smiles

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