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Methyl 2-((2R,3R,4R,4aS,6R,8R,8aS,10S,11S)-2,3-dimethyldecahydro-2,8,4,6-(epibutane[1,2,3,4]tetrayl)naphthalen-1-yl)acetate
SpectraBase Compound ID 4hOYPMSglKO
InChI InChI=1S/C19H28O2/c1-9-17-11-4-10-5-12-14(11)8-19(9,2)15(7-16(20)21-3)18(12)13(17)6-10/h9-15,17-18H,4-8H2,1-3H3/t9-,10+,11-,12+,13-,14-,15-,17+,18-,19+/m0/s1
InChIKey PXEJAKRNTSNRRA-KHQHBPJHSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NLuGVdgL03
Name Methyl 2-((2R,3R,4R,4aS,6R,8R,8aS,10S,11S)-2,3-dimethyldecahydro-2,8,4,6-(epibutane[1,2,3,4]tetrayl)naphthalen-1-yl)acetate
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Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-9-17-11-4-10-5-12-14(11)8-19(9,2)15(7-16(20)21-3)18(12)13(17)6-10/h9-15,17-18H,4-8H2,1-3H3/t9-,10+,11-,12+,13-,14-,15-,17+,18-,19+/m0/s1
InChIKey PXEJAKRNTSNRRA-KHQHBPJHSA-N
Literature Reference DOI 10.1002/rcm.4977
Molecular Weight 288.431 g/mol
SMILES [C@]12([C@]3([C@@]4([C@@]5(C[C@@](C[C@]2([C@@]5([C@@]([C@]([C@]1(CC(OC)=O)[H])(C4)C)(C)[H])[H])[H])(C3)[H])[H])[H])[H])[H]
SPLASH splash10-03y0-0980000000-7d7f39f1096ec54ddc53
Source of Spectrum RCM-25-1202-IX
Wiley ID 1814817