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(2S,4aR,6S,11S,13aR)-6,11-Diethyl-2-(4-methoxy-benzyloxy)-3-methyl-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)-6,11-Diethyl-2-(4-methoxy-benzyloxy)-3-methyl-1,2,4a,6,11,13a-hexahydro-5,12-dioxa-dibenzo[a,e]cyclononen-13-one
SpectraBase Compound ID 1KajAEuXWSI
InChI InChI=1S/C28H34O5/c1-5-24-21-9-7-8-10-22(21)25(6-2)33-28(29)23-16-26(18(3)15-27(23)32-24)31-17-19-11-13-20(30-4)14-12-19/h7-15,23-27H,5-6,16-17H2,1-4H3/t23-,24+,25+,26+,27-/m1/s1
InChIKey ZGXYMBFOEFCIEO-NNRJALBFSA-N
Mol Weight 450.6 g/mol
Molecular Formula C28H34O5
Exact Mass 450.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyPWPEFGBDW
Name (2S,4aR,6S,11S,13aR)-6,11-Diethyl-2-(4-methoxy-benzyloxy)-3-methyl-1,2,4a,6,11,13a-hexahydro-5,12-dioxa-dibenzo[a,e]cyclononen-13-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34O5
InChI InChI=1S/C28H34O5/c1-5-24-21-9-7-8-10-22(21)25(6-2)33-28(29)23-16-26(18(3)15-27(23)32-24)31-17-19-11-13-20(30-4)14-12-19/h7-15,23-27H,5-6,16-17H2,1-4H3/t23-,24+,25+,26+,27-/m1/s1
InChIKey ZGXYMBFOEFCIEO-NNRJALBFSA-N
Molecular Weight 450.575 g/mol
SMILES [C@]12(C(O[C@](c3ccccc3[C@@](O[C@@]2(C=C(C)[C@](C1)(OCc1ccc(cc1)OC)[H])[H])(CC)[H])(CC)[H])=O)[H]
SPLASH splash10-0200-0900000000-6a76ce8f885341a94cd5
Source of Spectrum F5-3-1315-7i
Synonyms 2-(p-Methoxybenzyloxy)-6,11-diethyl-3-methyl-1,2,4a,13a-tetrahydro-5,12-dioxadibenzo[a,e]cyclononan-13-one (2S,4aR,6S,11S,13aR)-6,11-diethyl-2-((4-methoxybenzyl)oxy)-3-methyl-4a,6,11,13a-tetrahydro-1H-dibenzo[b,g][1,5]dioxonin-13(2H)-one (2S,4aR,6S,11S,13aR)-6,11-diethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-1,2,4a,6,11,13a-hexahydrobenzo[c][2,6]benzodioxonin-13-one
Wiley ID 1732238