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Methyl ester of [1R-(1.alpha.,3.beta.,3a.beta.,3b.alpha.,6.beta.,6a.alpha.,6b.beta.)]-3-(acetyloxy)decahydro-3a,6-dimethyl-cyclobuta[1,2:3,4]dicyclopentane-1-carboxylic acid
SpectraBase Compound ID 4m04RDQO9FD
InChI InChI=1S/C16H24O4/c1-8-5-6-11-13(8)14-10(15(18)19-4)7-12(16(11,14)3)20-9(2)17/h8,10-14H,5-7H2,1-4H3/t8-,10-,11+,12-,13-,14+,16+/m1/s1
InChIKey FQEJVOLHMFRSGJ-QGPBMZLHSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aFxfDFqy2m
Name Methyl ester of [1R-(1.alpha.,3.beta.,3a.beta.,3b.alpha.,6.beta.,6a.alpha.,6b.beta.)]-3-(acetyloxy)decahydro-3a,6-dimethyl-cyclobuta[1,2:3,4]dicyclopentane-1-carboxylic acid
Alternate Name(s) Methyl (1R,3R,3aR,3bS,6R,6aR,6bR)-3-(acetyloxy)-3a,6-dimethyldecahydrocyclopenta[3,4]cyclobuta[1,2-a]cyclopentene-1-carboxylate
CAS Registry Number 77136-68-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-8-5-6-11-13(8)14-10(15(18)19-4)7-12(16(11,14)3)20-9(2)17/h8,10-14H,5-7H2,1-4H3/t8-,10-,11+,12-,13-,14+,16+/m1/s1
InChIKey FQEJVOLHMFRSGJ-QGPBMZLHSA-N
Molecular Weight 280.364 g/mol
SMILES [C@@]12([C@]([C@](C(=O)OC)(C[C@]2(OC(=O)C)[H])[H])([H])[C@]2([C@@]1(CC[C@]2(C)[H])[H])[H])C
SPLASH splash10-06rx-6910000000-2e2c1926afc452909133
Source of Spectrum J-46-2240-0
Wiley ID 1283939