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yunaconitine

Go to external page http://purl.obolibrary.org/obo/CHEBI_132640

A diterpene alkaloid with formula C35H49NO11 that is isolated from several Aconitum species.

Term info

Label

yunaconitine

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

3_STAR

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

charge

0

formula

C35H49NO11

has obo namespace

chebi_ontology

has related synonym

Vilmorrianine B, Guayewuanine B, 3-alpha,13-Dihydroxyforesaconitine, Isoaconitine, (1alpha,3alpha,6alpha,14alpha,16beta)-8-(acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate

id

CHEBI:132640

inchi

InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1

inchikey

LLEMSCWAKNQHHA-SQJQOUDQSA-N

mass

659.765

monoisotopicmass

659.33056

smiles

[C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)(O)[C@@H]6OC(C7=CC=C(C=C7)OC)=O)[H])[H])OC(C)=O)[H])CC)(COC)[C@@H](C[C@@H]3OC)O)[H]