(7S,11S,12S,14R)-1',4'-dimethoxyamentol (CHEBI:198220)

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CHEBI:198220 - (7S,11S,12S,14R)-1',4'-dimethoxyamentol

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ChEBI ID	CHEBI:198220
ChEBI Name	(7S,11S,12S,14R)-1',4'-dimethoxyamentol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H42O5
Net Charge	0
Average Mass	470.650
Monoisotopic Mass	470.30322
SMILES	COc1cc(C)c(OC)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](O)C(C)(C)O3)O2)c1
InChI	InChI=1S/C29H42O5/c1-19(10-11-21-16-22(31-7)15-20(2)25(21)32-8)14-23-17-27(5)12-9-13-28(27,6)29(33-23)18-24(30)26(3,4)34-29/h10,15-17,24,30H,9,11-14,18H2,1-8H3/b19-10+/t24-,27+,28+,29+/m1/s1
InChIKey	LMSRXHXSWMRYEX-CDTDPFSWSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	(7S,11S,12S,14R)-1',4'-dimethoxyamentol (CHEBI:198220) is a dimethoxybenzene (CHEBI:51681)

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

Manual Xrefs	Databases
10481392	ChemSpider