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1-Naphthalenecarboxylic acid, 4-(acetyloxy)decahydro-4a-methyl-7-(1-methylethyl)-8-[(1-oxo-3-phenyl -2-propenyl)oxy]-, methyl ester, [1S-(1.alpha.,4.beta.,4a.alpha.,7.alpha.,8.alpha.,8a.beta.)]-
SpectraBase Compound ID 1kYwY7tEfoY
InChI InChI=1S/C27H36O6/c1-17(2)20-15-16-27(4)22(32-18(3)28)13-12-21(26(30)31-5)24(27)25(20)33-23(29)14-11-19-9-7-6-8-10-19/h6-11,14,17,20-22,24-25H,12-13,15-16H2,1-5H3/b14-11-/t20-,21-,22-,24+,25+,27-/m0/s1
InChIKey FMNPYRXTYMDCTG-BFKKRFRRSA-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 71qsdRyRerJ
Name 1-Naphthalenecarboxylic acid, 4-(acetyloxy)decahydro-4a-methyl-7-(1-methylethyl)-8-[(1-oxo-3-phenyl -2-propenyl)oxy]-, methyl ester, [1S-(1.alpha.,4.beta.,4a.alpha.,7.alpha.,8.alpha.,8a.beta.)]-
Alternate Name(s) Methyl (1S,4S,4aR,7S,8R,8aS)-4-(acetyloxy)-7-isopropyl-4a-methyl-8-{[(2Z)-3-phenyl-2-propenoyl]oxy}decahydro-1-naphthalenecarboxylate Methyl 1.alpha.-acetoxy-6.beta.-(cinnamoyloxy)eudesman-14-carboxylate
CAS Registry Number 66148-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-17(2)20-15-16-27(4)22(32-18(3)28)13-12-21(26(30)31-5)24(27)25(20)33-23(29)14-11-19-9-7-6-8-10-19/h6-11,14,17,20-22,24-25H,12-13,15-16H2,1-5H3/b14-11-/t20-,21-,22-,24+,25+,27-/m0/s1
InChIKey FMNPYRXTYMDCTG-BFKKRFRRSA-N
Molecular Weight 456.579 g/mol
SMILES [C@@]12([C@]([C@@](OC(=O)C)(CC[C@@]2(C(=O)OC)[H])[H])(CC[C@]([C@]1(OC(\C=C/c1ccccc1)=O)[H])(C(C)C)[H])C)[H]
SPLASH splash10-001i-0910000000-ff4598496ab17af71965
Source of Spectrum K-111-262-0
Wiley ID 1389364