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ananolignan H

Go to external page http://purl.obolibrary.org/obo/CHEBI_67445

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.

Term info

Label

ananolignan H

Synonyms
  • (5R,6S,7R,8R)-5-acetoxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl 2-methylpropanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(5R,6S,7R,8R)-5-acetoxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl 2-methylpropanoate [ IUPAC ]

charge

0

formula

C29H36O10

has obo namespace

chebi_ontology

id

CHEBI:67445

inchi

InChI=1S/C29H36O10/c1-13(2)29(31)39-24-15(4)14(3)23(38-16(5)30)17-10-19(32-6)25(33-7)27(34-8)21(17)22-18(24)11-20-26(28(22)35-9)37-12-36-20/h10-11,13-15,23-24H,12H2,1-9H3/t14-,15+,23+,24+/m0/s1

inchikey

BYWYHNJXDVXTHJ-ZSXZNSMSSA-N

mass

544.59010

monoisotopicmass

544.23085

smiles

COc1cc2[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](OC(=O)C(C)C)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC