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

View entire compound with spectra: 2 MS (GC)

(1S,5S,6R)-3-Acetoxy-1,5,6-trimethyl-5-(3-oxo-butyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester
SpectraBase Compound ID LO2SwyFS4Xv
InChI InChI=1S/C21H32O5/c1-13-7-8-17-18(20(13,4)10-9-14(2)22)11-16(26-15(3)23)12-21(17,5)19(24)25-6/h11,13,16-17H,7-10,12H2,1-6H3/t13-,16?,17?,20+,21+/m1/s1
InChIKey NPVXAVUBPWHWSA-QISZYENRSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyKkybkSycH
Name (1S,5S,6R)-3-Acetoxy-1,5,6-trimethyl-5-(3-oxo-butyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester
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Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-13-7-8-17-18(20(13,4)10-9-14(2)22)11-16(26-15(3)23)12-21(17,5)19(24)25-6/h11,13,16-17H,7-10,12H2,1-6H3/t13-,16?,17?,20+,21+/m1/s1
InChIKey NPVXAVUBPWHWSA-QISZYENRSA-N
Molecular Weight 364.482 g/mol
SMILES C1=2C([C@@](C(=O)OC)(CC(C2)OC(=O)C)C)CC[C@]([C@@]1(CCC(=O)C)C)(C)[H]
SPLASH splash10-05fr-0920000000-caba34219b5b032f5eec
Source of Spectrum F-59-690-8
Synonyms Methyl 2.alpha.-Acetoxy-13-oxo-14,15-dinor-1(10)-ent-halimen-18-oate Methyl 2.beta.-Acetoxy-13-oxo-14,15-dinor-1(10)-ent-halimen-18-oate
Wiley ID 1676821