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1-Naphthalenol, 2-[3-ethyl-2-(iodomethyl)-2-methylcyclopentyl]decahydro-6-methoxy-8a-methyl-, formate, [1S-[1.alpha.,2.beta.(1R*,2S*,3R*),4a.alpha.,6.beta.,8a.alpha.]]-
SpectraBase Compound ID 13NuJU6bV4o
InChI InChI=1S/C22H37IO3/c1-5-15-7-9-19(22(15,3)13-23)18-8-6-16-12-17(25-4)10-11-21(16,2)20(18)26-14-24/h14-20H,5-13H2,1-4H3/t15-,16+,17+,18+,19?,20-,21-,22?/m0/s1
InChIKey SCRQXILVSDXTNJ-KSOZYASISA-N
Mol Weight 476.4 g/mol
Molecular Formula C22H37IO3
Exact Mass 476.17874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sumOmRvoGm
Name 1-Naphthalenol, 2-[3-ethyl-2-(iodomethyl)-2-methylcyclopentyl]decahydro-6-methoxy-8a-methyl-, formate, [1S-[1.alpha.,2.beta.(1R*,2S*,3R*),4a.alpha.,6.beta.,8a.alpha.]]-
Alternate Name(s) (1S,2R,4aR,6R,8aS)-2-[(3S)-3-ethyl-2-(iodomethyl)-2-methylcyclopentyl]-6-methoxy-8a-methyldecahydro-1-naphthalenyl formate
CAS Registry Number 113360-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37IO3
InChI InChI=1S/C22H37IO3/c1-5-15-7-9-19(22(15,3)13-23)18-8-6-16-12-17(25-4)10-11-21(16,2)20(18)26-14-24/h14-20H,5-13H2,1-4H3/t15-,16+,17+,18+,19?,20-,21-,22?/m0/s1
InChIKey SCRQXILVSDXTNJ-KSOZYASISA-N
Molecular Weight 476.439 g/mol
SMILES [C@]12([C@]([C@@](C3C([C@@](CC)(CC3)[H])(CI)C)(CC[C@@]1(C[C@@](CC2)(OC)[H])[H])[H])(OC=O)[H])C
SPLASH splash10-00di-0091000000-baec796a6f4003bee6ac
Source of Spectrum J-55-2175-37
Wiley ID 1394238