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(+/-)-(4aS,8aS,10aR)-Methyl isoxazolo[5,4-b]-1,1,4a-trimethyl-1,2,4a,6,7,8,8a,9,10,10a-decahydrophenanthrene-8a-carboxylate

View entire compound with spectra: 1 MS (GC)

(+/-)-(4aS,8aS,10aR)-Methyl isoxazolo[5,4-b]-1,1,4a-trimethyl-1,2,4a,6,7,8,8a,9,10,10a-decahydrophenanthrene-8a-carboxylate
SpectraBase Compound ID 34V7kZiVf1C
InChI InChI=1S/C20H27NO3/c1-18(2)14-8-10-20(17(22)23-4)9-6-5-7-15(20)19(14,3)11-13-12-21-24-16(13)18/h7,12,14H,5-6,8-11H2,1-4H3/t14-,19-,20-/m0/s1
InChIKey MDEYNWJPDAUBNZ-GKCIPKSASA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZRFj7aOMaV
Name (+/-)-(4aS,8aS,10aR)-Methyl isoxazolo[5,4-b]-1,1,4a-trimethyl-1,2,4a,6,7,8,8a,9,10,10a-decahydrophenanthrene-8a-carboxylate
Appearance Crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-18(2)14-8-10-20(17(22)23-4)9-6-5-7-15(20)19(14,3)11-13-12-21-24-16(13)18/h7,12,14H,5-6,8-11H2,1-4H3/t14-,19-,20-/m0/s1
InChIKey MDEYNWJPDAUBNZ-GKCIPKSASA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 329.440 g/mol
Reported Formula C20H27NO3
SMILES C(OC)([C@@]12C([C@@]3([C@](C(c4c(C3)cno4)(C)C)(CC2)[H])C)=CCCC1)=O
SPLASH splash10-0592-0791000000-021b698ded20d104227d
Source of Spectrum AF-54-SM56-58
Wiley ID 1848785