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Decalin, 8a-methyl-1,8-bis[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carboxy]-

View entire compound with spectra: 2 MS (GC)

Decalin, 8a-methyl-1,8-bis[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carboxy]-
SpectraBase Compound ID H8cUzKxZ4T2
InChI InChI=1S/C31H44O8/c1-25(2)27(5)14-16-30(25,38-21(27)32)23(34)36-19-12-8-10-18-11-9-13-20(29(18,19)7)37-24(35)31-17-15-28(6,22(33)39-31)26(31,3)4/h18-20H,8-17H2,1-7H3/t18?,19?,20?,27-,28+,29?,30+,31-
InChIKey DHLVAGNZPLUKSV-MAYKLNBCSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H44O8
Exact Mass 544.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWyZExRWvQR
Name Decalin, 8a-methyl-1,8-bis[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carboxy]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44O8
InChI InChI=1S/C31H44O8/c1-25(2)27(5)14-16-30(25,38-21(27)32)23(34)36-19-12-8-10-18-11-9-13-20(29(18,19)7)37-24(35)31-17-15-28(6,22(33)39-31)26(31,3)4/h18-20H,8-17H2,1-7H3/t18?,19?,20?,27-,28+,29?,30+,31-
InChIKey DHLVAGNZPLUKSV-MAYKLNBCSA-N
Molecular Weight 544.685 g/mol
SMILES [C@@]12(OC(=O)[C@](C2(C)C)(C)CC1)C(OC1C2(C(OC([C@@]34OC(=O)[C@@](C4(C)C)(C)CC3)=O)CCCC2CCC1)C)=O
SPLASH splash10-0002-5901000000-84ee260155679c8d2dea
Synonyms 8a-Methyl-8-([(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]oxy)decahydro-1-naphthalenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [8a-methyl-8-[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methoxy]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl] ester [8a-methyl-8-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)oxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl] 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate [8a-methyl-8-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)oxy-decalin-1-yl] 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate [8a-methyl-8-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonyloxy]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl] 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate
Wiley ID 1487226