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ananolignan J

Go to external page http://purl.obolibrary.org/obo/CHEBI_67447

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma

Term info

Label

ananolignan J

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-methylbutanoate
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-methylbutanoate [ IUPAC ]

charge

0

formula

C30H38O10

has obo namespace

chebi_ontology

id

CHEBI:67447

inchi

InChI=1S/C30H38O10/c1-10-14(2)30(32)40-25-16(4)15(3)24(39-17(5)31)18-11-20(33-6)26(34-7)28(35-8)22(18)23-19(25)12-21-27(29(23)36-9)38-13-37-21/h11-12,14-16,24-25H,10,13H2,1-9H3/t14?,15-,16+,24+,25+/m0/s1

inchikey

CTOBKBWNSSDQMA-BTZGXSAMSA-N

mass

558.61670

monoisotopicmass

558.24650

smiles

CCC(C)C(=O)O[C@@H]1[C@H](C)[C@H](C)[C@@H](OC(C)=O)c2cc(OC)c(OC)c(OC)c2-c2c1cc1OCOc1c2OC