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9,19-CYCLOCHOLAN-24-AL, 3-(ACETYLOXY)-4,4,14-TRIMETHYL-
SpectraBase Compound ID Ewl0K4HWN4s
InChI InChI=1S/C29H46O3/c1-19(8-7-17-30)21-11-13-27(6)23-10-9-22-25(3,4)24(32-20(2)31)12-14-28(22)18-29(23,28)16-15-26(21,27)5/h17,19,21-24H,7-16,18H2,1-6H3
InChIKey YJLQMFGPTAIORM-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUbeCQosgnS
Name 9,19-Cyclocholan-24-al, 3-(acetyloxy)-4,4,14-trimethyl-, (3.beta.,5.alpha.)-
Alternate Name(s) 3a,6,6,12a-Tetramethyl-1-(1-methyl-4-oxobutyl)tetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl acetate
CAS Registry Number 25089-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-19(8-7-17-30)21-11-13-27(6)23-10-9-22-25(3,4)24(32-20(2)31)12-14-28(22)18-29(23,28)16-15-26(21,27)5/h17,19,21-24H,7-16,18H2,1-6H3
InChIKey YJLQMFGPTAIORM-UHFFFAOYSA-N
Molecular Weight 442.684 g/mol
SMILES CC1(C2CCC3C4(C2(CCC1OC(=O)C)C4)CCC1(C3(CCC1C(CCC=O)C)C)C)C
SPLASH splash10-0fvi-9500000000-9119519675a687a6503b
Source of Spectrum F-33-818-0
Wiley ID 1385507