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3beta-hydroxycostunolide

Go to external page http://purl.obolibrary.org/obo/CHEBI_144560

A heterobicyclic compound that is costunolide in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.

Term info

Label

3beta-hydroxycostunolide

Synonyms
  • (3aS,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
  • 3beta-hydroxycostunolide
database cross reference
Subsets

3_STAR

IUPAC NAME
(3aS,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one [ IUPAC ]

charge

0

formula

C15H20O3

has obo namespace

chebi_ontology

has related synonym

chanfillin, hanphyllin, hanphilline, hanfillin

id

CHEBI:144560

inchi

InChI=1S/C15H20O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+/t12-,13-,14+/m0/s1

inchikey

XQVSREKNQZKAKU-RZPRNJIHSA-N

mass

248.322

monoisotopicmass

248.14124

smiles

[C@H]12C=C([C@H](CC=C(CC[C@H]2C(C(O1)=O)=C)C)O)C