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(2S,4aR,6S,11S,13aR)-2-(4-Methoxy-benzyloxy)-3,6,11-trimethyl-1,2,4a,6,11,13a-hexahydro-5,12-dioxa-dibenzo[a,e]cyclononen-13-one

View entire compound with spectra: 1 MS (GC)

(2S,4aR,6S,11S,13aR)-2-(4-Methoxy-benzyloxy)-3,6,11-trimethyl-1,2,4a,6,11,13a-hexahydro-5,12-dioxa-dibenzo[a,e]cyclononen-13-one
SpectraBase Compound ID KDegdnkV336
InChI InChI=1S/C26H30O5/c1-16-13-25-23(14-24(16)29-15-19-9-11-20(28-4)12-10-19)26(27)31-18(3)22-8-6-5-7-21(22)17(2)30-25/h5-13,17-18,23-25H,14-15H2,1-4H3/t17-,18-,23+,24-,25+/m0/s1
InChIKey WRWKMMFIZWOYKI-ZUHDWJTNSA-N
Mol Weight 422.52 g/mol
Molecular Formula C26H30O5
Exact Mass 422.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTG0bPgzbgU
Name (2S,4aR,6S,11S,13aR)-2-(4-Methoxy-benzyloxy)-3,6,11-trimethyl-1,2,4a,6,11,13a-hexahydro-5,12-dioxa-dibenzo[a,e]cyclononen-13-one
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Formula C26H30O5
InChI InChI=1S/C26H30O5/c1-16-13-25-23(14-24(16)29-15-19-9-11-20(28-4)12-10-19)26(27)31-18(3)22-8-6-5-7-21(22)17(2)30-25/h5-13,17-18,23-25H,14-15H2,1-4H3/t17-,18-,23+,24-,25+/m0/s1
InChIKey WRWKMMFIZWOYKI-ZUHDWJTNSA-N
Molecular Weight 422.521 g/mol
SMILES [C@]12(C(O[C@](c3ccccc3[C@@](O[C@@]2(C=C(C)[C@](C1)(OCc1ccc(cc1)OC)[H])[H])(C)[H])(C)[H])=O)[H]
SPLASH splash10-0089-0900000000-27b7797ca0bb6a478f46
Source of Spectrum F5-3-1314-7h
Synonyms 2-(p-Methoxybenzyloxy)-3,6,11-trimethyl-1,2,4a,13a-tetrahydro-5,12-dioxadibenzo[a,e]cyclononan-13-one (2S,4aR,6S,11S,13aR)-2-((4-methoxybenzyl)oxy)-3,6,11-trimethyl-4a,6,11,13a-tetrahydro-1H-dibenzo[b,g][1,5]dioxonin-13(2H)-one
Wiley ID 1732239