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Ethylene Ketal of Methyl (t-5,c-10-Dimethyl-c-6,c-8-dihydroxy-4-oxo-r-1H-bicyclo[5.3.0]dec-7-t-yl)acetate
SpectraBase Compound ID HQQiDKaqzmQ
InChI InChI=1S/C17H28O6/c1-10-8-14(19)16(9-17(21-3)22-6-7-23-17)12(10)4-5-13(18)11(2)15(16)20/h10-12,14-15,19-20H,4-9H2,1-3H3/t10-,11+,12+,14+,15-,16-/m0/s1
InChIKey QOTGUWPSGISICG-DIEKJCKJSA-N
Mol Weight 328.41 g/mol
Molecular Formula C17H28O6
Exact Mass 328.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F62EBzTqLFr
Name Ethylene Ketal of Methyl (t-5,c-10-Dimethyl-c-6,c-8-dihydroxy-4-oxo-r-1H-bicyclo[5.3.0]dec-7-t-yl)acetate
Alternate Name(s) (1S,3R,3aS,4S,5S,8aR)-3,4-dihydroxy-3a-[(2-methoxy-1,3-dioxolan-2-yl)methyl]-1,5-dimethyloctahydro-6(1H)-azulenone
CAS Registry Number 71661-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O6
InChI InChI=1S/C17H28O6/c1-10-8-14(19)16(9-17(21-3)22-6-7-23-17)12(10)4-5-13(18)11(2)15(16)20/h10-12,14-15,19-20H,4-9H2,1-3H3/t10-,11+,12+,14+,15-,16-/m0/s1
InChIKey QOTGUWPSGISICG-DIEKJCKJSA-N
Molecular Weight 328.405 g/mol
SMILES O[C@]1([C@]2([C@]([C@@](C(CC[C@@]2([C@](C1)(C)[H])[H])=O)(C)[H])(O)[H])CC1(OCCO1)OC)[H]
SPLASH splash10-0002-9100000000-d2f8b58f574a8c75e668
Source of Spectrum J-44-4556-0
Wiley ID 1326144