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1H-Benz[e]indene-7-acetic acid, 6-ethyldodecahydro-3-hydroxy-3a-methyl-, 1,1-dimethylethyl ester, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.alpha.,9a.alpha.,9b.beta.)]-
SpectraBase Compound ID EXQ7unpCfN4
InChI InChI=1S/C22H38O3/c1-6-15-14(13-20(24)25-21(2,3)4)7-8-17-16(15)11-12-22(5)18(17)9-10-19(22)23/h14-19,23H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19-,22-/m0/s1
InChIKey UDJAUEFWTQSWHS-SSHXTSQHSA-N
Mol Weight 350.5 g/mol
Molecular Formula C22H38O3
Exact Mass 350.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DY9zSUUJiAq
Name 1H-Benz[e]indene-7-acetic acid, 6-ethyldodecahydro-3-hydroxy-3a-methyl-, 1,1-dimethylethyl ester, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.alpha.,9a.alpha.,9b.beta.)]-
Alternate Name(s) tert-Butyl[(3S,3aS,5aR,6S,7S,9aR,9bS)-6-ethyl-3-hydroxy-3a-methyldodecahydro-1H-cyclopenta[a]naphthalen-7-yl]acetate
CAS Registry Number 100021-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O3
InChI InChI=1S/C22H38O3/c1-6-15-14(13-20(24)25-21(2,3)4)7-8-17-16(15)11-12-22(5)18(17)9-10-19(22)23/h14-19,23H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19-,22-/m0/s1
InChIKey UDJAUEFWTQSWHS-SSHXTSQHSA-N
Molecular Weight 350.543 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CC)[H])(CC(OC(C)(C)C)=O)[H])[H])(CC1)[H])C)[H]
SPLASH splash10-0zfs-4029000000-b9e13fd356d20d7107ea
Source of Spectrum J-51-772-4
Wiley ID 1342258