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Acetic acid, 17-(1,5-dimethylhexyl)-10,13-dimethyl-3-oxohexadecahydrocyclopenta[a]phenanthren-2-yl ester
SpectraBase Compound ID 6z8JsC3HsuL
InChI InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-26(31)27(32-20(4)30)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-25,27H,7-17H2,1-6H3
InChIKey JRLVDQSYDDODPL-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 ENTyAx5xuZp
Name ACETIC ACID, 17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-3-OXO-HEXADECAHYDROCYCLOPENTA[a]PHENANTHREN-2-YL ESTER
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Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-26(31)27(32-20(4)30)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-25,27H,7-17H2,1-6H3
InChIKey JRLVDQSYDDODPL-UHFFFAOYSA-N
Molecular Weight 444.3591
SMILES C1(OC(C)=O)C(=O)CC2C(C)(C3C(C4CCC(C(C)CCCC(C)C)C4(C)CC3)CC2)C1
SPLASH splash10-053u-8952100000-2e3242b89bb97bf5824b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany