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(PM,3RS)-13-(t-butyl)-3-methoxy-3-[trideuterio]methoxy-9,11,15-trimethyl-4-oxatricyclo[8.5.0.0(2,6)]pentadeca-1,6,8,10,12,14-hexaen-5-one

View entire compound with spectra: 1 MS (GC)

(PM,3RS)-13-(t-butyl)-3-methoxy-3-[trideuterio]methoxy-9,11,15-trimethyl-4-oxatricyclo[8.5.0.0(2,6)]pentadeca-1,6,8,10,12,14-hexaen-5-one
SpectraBase Compound ID 5Y5IQbOIpGW
InChI InChI=1S/C23H28O4/c1-13-9-10-17-20(23(25-7,26-8)27-21(17)24)19-15(3)12-16(22(4,5)6)11-14(2)18(13)19/h9-12H,1-8H3/i7D3
InChIKey TWHCWPNRFWDSFW-UKDQJQFQSA-N
Mol Weight 371.49 g/mol
Molecular Formula C23H252D3O4
Exact Mass 371.21759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeDuhqB97fU
Name (PM,3RS)-13-(t-butyl)-3-methoxy-3-[trideuterio]methoxy-9,11,15-trimethyl-4-oxatricyclo[8.5.0.0(2,6)]pentadeca-1,6,8,10,12,14-hexaen-5-one
CAS Registry Number 115460-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25D3O4
InChI InChI=1S/C23H28O4/c1-13-9-10-17-20(23(25-7,26-8)27-21(17)24)19-15(3)12-16(22(4,5)6)11-14(2)18(13)19/h9-12H,1-8H3/i7D3
InChIKey TWHCWPNRFWDSFW-UKDQJQFQSA-N
Molecular Weight 371.491 g/mol
SMILES C=12C(OC(C2=CC=C(C=2C1C(=CC(C(C)(C)C)=CC2C)C)C)=O)(OC([2D])([2D])[2D])OC
SPLASH splash10-0079-0049000000-e4b96aa47a3467fedfa4
Source of Spectrum H-70-1456-14
Wiley ID 1353305