(7S,11S,12S,14R)-1',4',14-trimethoxyamentol (CHEBI:200917)

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CHEBI:200917 - (7S,11S,12S,14R)-1',4',14-trimethoxyamentol

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ChEBI ID	CHEBI:200917
ChEBI Name	(7S,11S,12S,14R)-1',4',14-trimethoxyamentol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H44O5
Net Charge	0
Average Mass	484.677
Monoisotopic Mass	484.31887
SMILES	COc1cc(C)c(OC)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](OC)C(C)(C)O3)O2)c1
InChI	InChI=1S/C30H44O5/c1-20(11-12-22-17-23(31-7)16-21(2)26(22)33-9)15-24-18-28(5)13-10-14-29(28,6)30(34-24)19-25(32-8)27(3,4)35-30/h11,16-18,25H,10,12-15,19H2,1-9H3/b20-11+/t25-,28+,29+,30+/m1/s1
InChIKey	IZLZWFODEHECNV-GSAJSYTASA-N

Species of Metabolite	Component	Source	Comments
Cystophora (ncbitaxon:39181)	-	PubMed (16678228)

ChEBI Ontology

Outgoing Relation(s)
	(7S,11S,12S,14R)-1',4',14-trimethoxyamentol (CHEBI:200917) is a dimethoxybenzene (CHEBI:51681)

IUPAC Name
(1S,3'R,4aS,7aS)-3-[(E)-4-(2,5-dimethoxy-3-methylphenyl)-2-methylbut-2-enyl]-3'-methoxy-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]

Manual Xrefs	Databases
10481389	ChemSpider