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36;1,2-[5AR-(1-PSI,5A-ALPHA,6-BETA,9A-BETA)]-11-METHOXY-6-METHOXYMETHYL-2,6,9A-TRIMETHYL-3-PHENYL-4,5,5A,6,7,8,9,9A-OCTAHYDROPHENANTHRO-[1,2-D]-(1H)-ISOXAZ

View entire compound with spectra: 1 NMR, and 1 MS (GC)

36;1,2-[5AR-(1-PSI,5A-ALPHA,6-BETA,9A-BETA)]-11-METHOXY-6-METHOXYMETHYL-2,6,9A-TRIMETHYL-3-PHENYL-4,5,5A,6,7,8,9,9A-OCTAHYDROPHENANTHRO-[1,2-D]-(1H)-ISOXAZ
SpectraBase Compound ID J8LtPrBZ4HB
InChI InChI=1S/C27H35NO3/c1-26(17-29-4)14-9-15-27(2)20-16-21(30-5)23-24(18-10-7-6-8-11-18)28(3)31-25(23)19(20)12-13-22(26)27/h6-8,10-11,16,22,24H,9,12-15,17H2,1-5H3/t22?,24?,26-,27-/m1/s1
InChIKey OFZGWEBXMZKKNI-ATABAWGFSA-N
Mol Weight 421.6 g/mol
Molecular Formula C27H35NO3
Exact Mass 421.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KG1mt2h1XJe
Name 1,2-[5aR-(1x,5aa,6b,9ab)]-11-methoxy-6-methoxymethyl-2,6,9a-trimethyl-3-phenyl-4,5,5a,6,7,8,9,9a-octahydrophenanthro[1,2-d](1H)isoxazole
Alternate Name(s) (6S,9aS)-11-methoxy-6-(methoxymethyl)-2,6,9a-trimethyl-1-phenyl-1,2,4,5,5a,6,7,8,9,9a-decahydrophenanthro[2,1-d]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO3
InChI InChI=1S/C27H35NO3/c1-26(17-29-4)14-9-15-27(2)20-16-21(30-5)23-24(18-10-7-6-8-11-18)28(3)31-25(23)19(20)12-13-22(26)27/h6-8,10-11,16,22,24H,9,12-15,17H2,1-5H3/t22?,24?,26-,27-/m1/s1
InChIKey OFZGWEBXMZKKNI-ATABAWGFSA-N
Molecular Weight 421.581 g/mol
SMILES c12c(ON(C2c2ccccc2)C)c2CCC3[C@@](c2cc1OC)(CCC[C@@]3(COC)C)C
SPLASH splash10-0ab9-0001900000-5860d484f88524643025
Source of Spectrum B-47-1815-0
Wiley ID 1378365