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aristoloterpenate-I

Go to external page http://purl.obolibrary.org/obo/CHEBI_132825

A sesquiterpenoid obtained by formal condensation of the carboxy group of aristolochic acid with the hydroxy group of (1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-ol.

Term info

Label

aristoloterpenate-I

Synonyms
  • (1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylate [ IUPAC ]

charge

0

formula

C32H31NO8

has obo namespace

chebi_ontology

has related synonym

(-)-Aristoloterpenate I, Aristoloterpenate I

id

CHEBI:132825

inchi

InChI=1S/C32H31NO8/c1-19-7-4-9-20(2)13-22(14-21(17-34)10-5-8-19)41-32(35)25-16-28-31(40-18-39-28)30-23-11-6-12-27(38-3)24(23)15-26(29(25)30)33(36)37/h6,8-9,11-12,14-17,22H,4-5,7,10,13,18H2,1-3H3/b19-8+,20-9+,21-14-/t22-/m1/s1

inchikey

CNCKKGCRDGSHDH-PTDIUHGLSA-N

mass

557.592

monoisotopicmass

557.20497

smiles

[N+]([O-])(=O)C1=C2C(=C3C(=C1)C(OC)=CC=C3)C=4OCOC4C=C2C(O[C@@H]5CC(=CCCC(=CCCC(=C5)C([H])=O)C)C)=O