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(1S,5S,6R)-5-(2-Acetoxy-ethyl)-1,5,6-trimethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1S,5S,6R)-5-(2-Acetoxy-ethyl)-1,5,6-trimethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester
SpectraBase Compound ID KcWskrfL1L1
InChI InChI=1S/C19H28O5/c1-12-6-7-15-16(18(12,3)8-9-24-13(2)20)10-14(21)11-19(15,4)17(22)23-5/h10,12,15H,6-9,11H2,1-5H3/t12-,15?,18+,19+/m1/s1
InChIKey QBKQDNILNNOZKN-XPQULDPZSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZxnWm1xROA
Name (1S,5S,6R)-5-(2-Acetoxy-ethyl)-1,5,6-trimethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester
Alternate Name(s) Methyl 12-Acetoxy-2-oxo-13,14,15,16-tetranor-1(10)-ent-halimen-18-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-12-6-7-15-16(18(12,3)8-9-24-13(2)20)10-14(21)11-19(15,4)17(22)23-5/h10,12,15H,6-9,11H2,1-5H3/t12-,15?,18+,19+/m1/s1
InChIKey QBKQDNILNNOZKN-XPQULDPZSA-N
Molecular Weight 336.428 g/mol
SMILES C1=2C([C@@](C(=O)OC)(CC(C2)=O)C)CC[C@]([C@@]1(CCOC(=O)C)C)(C)[H]
SPLASH splash10-014i-9541000000-e32c64279a3806aaafd4
Source of Spectrum F-59-690-9
Wiley ID 1676820