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ACETIC ACID, 17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-6-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[a]PHENANTHREN-2-YL ESTER
SpectraBase Compound ID CgdkdI6hP7O
InChI InChI=1S/C27H44O.C2H4O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5;1-2(3)4/h11,18-23H,6-10,12-17H2,1-5H3;1H3,(H,3,4)
InChIKey BXMDGHVELLKCIC-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IN8WBanW0cg
Name ACETIC ACID, 17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-6-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[a]PHENANTHREN-2-YL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C27H44O.C2H4O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5;1-2(3)4/h11,18-23H,6-10,12-17H2,1-5H3;1H3,(H,3,4)
InChIKey BXMDGHVELLKCIC-UHFFFAOYSA-N
Molecular Weight 444.3591
SMILES OC(C)=O.C12CCC3(C)C(CCC3C1CC(=O)C1=CCCCC21C)C(CCCC(C)C)C
SPLASH splash10-0udl-9711600000-a5457417098d50b63a4e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany