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[3S-[3.beta.,4.alpha.,3-[(2R*),1R*(1.alpha.,3a.beta.,4.alpha.,7a.alpha.)]]]-3-[2-(octahydro-4-hydroxy-7a-methyl-1H-inden-1-yl)-propyl-2,5,5-trimethyl-4-isoxazolidinemethanol
SpectraBase Compound ID 1C8qKHrOrTJ
InChI InChI=1S/C20H37NO3/c1-13(11-17-16(12-22)19(2,3)24-21(17)5)14-8-9-15-18(23)7-6-10-20(14,15)4/h13-18,22-23H,6-12H2,1-5H3/t13?,14-,15+,16+,17+,18+,20-/m0/s1
InChIKey VRMYUFKVWZXBRO-IQVSUFJXSA-N
Mol Weight 339.5 g/mol
Molecular Formula C20H37NO3
Exact Mass 339.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMPL8YWrRmj
Name [3S-[3.beta.,4.alpha.,3-[(2R*),1R*(1.alpha.,3a.beta.,4.alpha.,7a.alpha.)]]]-3-[2-(octahydro-4-hydroxy-7a-methyl-1H-inden-1-yl)-propyl-2,5,5-trimethyl-4-isoxazolidinemethanol
CAS Registry Number 95716-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37NO3
InChI InChI=1S/C20H37NO3/c1-13(11-17-16(12-22)19(2,3)24-21(17)5)14-8-9-15-18(23)7-6-10-20(14,15)4/h13-18,22-23H,6-12H2,1-5H3/t13?,14-,15+,16+,17+,18+,20-/m0/s1
InChIKey VRMYUFKVWZXBRO-IQVSUFJXSA-N
Molecular Weight 339.520 g/mol
SMILES OC[C@]1(C(ON([C@@]1(CC([C@]1([C@]2([C@@]([C@@](CCC2)(O)[H])(CC1)[H])C)[H])C)[H])C)(C)C)[H]
SPLASH splash10-0006-0900000000-247a431a1ba99b164809
Source of Spectrum J-51-3106-39
Synonyms (1S,3aS,4R,7aS)-1-{(1S)-2-[(3R,4S)-4-(hydroxymethyl)-2,5,5-trimethylisoxazolidinyl]-1-methylethyl}-7a-methyloctahydro-1H-inden-4-ol
Wiley ID 1334623