2,6,9-trihydroxy-11-(1-hydroxy-2-propanyl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1~7,10~.0~2,7~]pentadec-11-ene-13,15-dione (CHEBI:141539)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2,6,9-trihydroxy-11-(1-hydroxy-2-propanyl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1~7,10~.0~2,7~]pentadec-11-ene-13,15-dione

ChEBI ID	CHEBI:141539

Stars	This entity has been manually annotated by a third party.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O7

Net Charge

Average Mass

380.433

Monoisotopic Mass

380.18350

InChI

InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3

InChIKey

BKRBOORGXGTRIL-UHFFFAOYSA-N

SMILES

CC1CCC2(C3(C)CC4(C(C)(C(=CC3=O)C(C)CO)C(C2(C1O)O4)=O)O)O

ChEBI Ontology
Outgoing	2,6,9-trihydroxy-11-(1-hydroxy-2-propanyl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1~7,10~.0~2,7~]pentadec-11-ene-13,15-dione (CHEBI:141539) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

2,7a,11-trihydroxy-4-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-2,3,7,7a,8,9,10,11-octahydro-6H-2,7:3,11a-dimethano-1-benzoxonine-6,12-dione

Synonym	Source
Cinncassiol C	ChEBI

Last Modified

07 August 2018