CHEBI:217172 - (7S,11S,12S,14R)-4',14-dimethoxyamentol

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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 (7S,11S,12S,14R)-4',14-dimethoxyamentol
ChEBI ID CHEBI:217172
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H42O5
Net Charge 0
Average Mass 470.650
Monoisotopic Mass 470.30322
InChI InChI=1S/C29H42O5/c1-19(10-11-21-16-22(31-7)15-20(2)25(21)30)14-23-17-27(5)12-9-13-28(27,6)29(33-23)18-24(32-8)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 PLIQXOWNZPNPRH-CDTDPFSWSA-N
SMILES O1C(=C[C@@]2(CCC[C@@]2([C@]13OC(C)(C)[C@@H](C3)OC)C)C)C/C(=C/CC4=C(O)C(=CC(=C4)OC)C)/C
Metabolite of Species Details
Cystophora (NCBI:txid39181) See: PubMed
ChEBI Ontology
Outgoing (7S,11S,12S,14R)-4',14-dimethoxyamentol (CHEBI:217172) is a methoxybenzenes (CHEBI:51683)
(7S,11S,12S,14R)-4',14-dimethoxyamentol (CHEBI:217172) is a phenols (CHEBI:33853)
IUPAC Name
2-[(E)-4-[(1S,3'R,4aS,7aS)-3'-methoxy-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3-yl]-3-methylbut-2-enyl]-4-methoxy-6-methylphenol
Manual Xref Database
10481395 ChemSpider
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