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3-((1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylene-decahydronaphthalen-1-yl)methyl)-4-methylphthalate dimethyl ester

View entire compound with spectra: 1 MS (GC)

3-((1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylene-decahydronaphthalen-1-yl)methyl)-4-methylphthalate dimethyl ester
SpectraBase Compound ID 7ZwHADYnNM3
InChI InChI=1S/C27H36O6/c1-16-9-11-18(23(28)31-5)22(24(29)32-6)19(16)15-20-17(2)10-12-21-26(20,3)13-8-14-27(21,4)25(30)33-7/h9,11,20-21H,2,8,10,12-15H2,1,3-7H3/t20-,21?,26+,27-/m0/s1
InChIKey VGOAFNSSVQGWPL-KZQCMDJUSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vahMOJHh4W
Name 3-((1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylene-decahydronaphthalen-1-yl)methyl)-4-methylphthalate dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-16-9-11-18(23(28)31-5)22(24(29)32-6)19(16)15-20-17(2)10-12-21-26(20,3)13-8-14-27(21,4)25(30)33-7/h9,11,20-21H,2,8,10,12-15H2,1,3-7H3/t20-,21?,26+,27-/m0/s1
InChIKey VGOAFNSSVQGWPL-KZQCMDJUSA-N
Ionization Type EI
Molecular Weight 456.579 g/mol
Optical Rotation [a]D = -16.6 (c = 1.0, CHCl3)
SMILES C1C[C@@](C(=O)OC)(C)C2CCC(=C)[C@](Cc3c(C)ccc(C(=O)OC)c3C(=O)OC)([C@@]2(C)C1)[H]
SPLASH splash10-0adl-9520000000-0ee14b7e103671c38f6a
Source of Spectrum ES2327196B2
Wiley ID 1841921