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1,2-Dioxane-3-acetic acid, 6-[2-(1,4,4a,7,8,8a-hexahydro-1,1,3,6-tetramethyl-2-naphthalenyl)ethyl]-.alpha.,6-dimethyl-, methyl ester, [3R-[3.alpha.(R*),6.alpha.(4aR*,8aS*)]]-
SpectraBase Compound ID B4MJ1Ce7Glu
InChI InChI=1S/C25H40O4/c1-16-8-9-21-19(14-16)15-17(2)20(24(21,4)5)10-12-25(6)13-11-22(28-29-25)18(3)23(26)27-7/h14,18-19,21-22H,8-13,15H2,1-7H3/t18?,19?,21?,22-,25+/m1/s1
InChIKey SXELECXXRAJAPF-YJGSUOCRSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cBXcKmMpL2
Name 1,2-Dioxane-3-acetic acid, 6-[2-(1,4,4a,7,8,8a-hexahydro-1,1,3,6-tetramethyl-2-naphthalenyl)ethyl]-.alpha.,6-dimethyl-, methyl ester, [3R-[3.alpha.(R*),6.alpha.(4aR*,8aS*)]]-
Alternate Name(s) Methyl 2-{(3R,6S)-6-methyl-6-[2-(1,1,3,6-tetramethyl-1,4,4a,7,8,8a-hexahydro-2-naphthalenyl)ethyl]-1,2-dioxan-3-yl}propanoate
CAS Registry Number 105969-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-16-8-9-21-19(14-16)15-17(2)20(24(21,4)5)10-12-25(6)13-11-22(28-29-25)18(3)23(26)27-7/h14,18-19,21-22H,8-13,15H2,1-7H3/t18?,19?,21?,22-,25+/m1/s1
InChIKey SXELECXXRAJAPF-YJGSUOCRSA-N
Molecular Weight 404.591 g/mol
SMILES C=1(C(C2CCC(=CC2CC1C)C)(C)C)CC[C@@]1(OO[C@@](C(C(=O)OC)C)(CC1)[H])C
SPLASH splash10-0udr-4492000000-d11de11e73c7b72f2bdd
Source of Spectrum J-52-341-3
Wiley ID 1371507