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12-methyl-5-dehydrohorminone

Go to external page http://purl.obolibrary.org/obo/CHEBI_66364

An abietane diterpenoid that is 5-dehydrohorminone in which the hydroxy group at position 12 is replaced by a methoxy group. Isolated from the roots of Salvia multicaulis, it exhibits antitubercular activity.

Term info

Label

12-methyl-5-dehydrohorminone

Synonyms
  • (7alpha)-7-hydroxy-12-methoxyabieta-5,8,12-triene-11,14-dione
database cross reference
Subsets

3_STAR

IUPAC NAME
(7alpha)-7-hydroxy-12-methoxyabieta-5,8,12-triene-11,14-dione [ IUPAC ]

charge

0

formula

C21H28O4

has obo namespace

chebi_ontology

has related synonym

(4bS,10R)-10-hydroxy-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthrene-1,4-dione

id

CHEBI:66364

inchi

InChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h10-12,22H,7-9H2,1-6H3/t12-,21+/m1/s1

inchikey

RUONQJYGQKYSSL-GTJPDFRWSA-N

mass

344.44460

monoisotopicmass

344.19876

smiles

COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2O