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(20.xi.)-13,17-secodammarane-13,17-dione

View entire compound with spectra: 1 MS (GC)

(20.xi.)-13,17-secodammarane-13,17-dione
SpectraBase Compound ID BVXSGpMaX5Q
InChI InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)23(31)15-19-30(8)26(32)14-13-25-28(6)18-10-17-27(4,5)24(28)16-20-29(25,30)7/h21-22,24-25H,9-20H2,1-8H3/t22-,24?,25-,28+,29-,30+/m1/s1
InChIKey ZDURBUBPRKZOPD-YPQFHTMLSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRi94ZZK7SH
Name (20.xi.)-13,17-secodammarane-13,17-dione
Alternate Name(s) (4R)-1-[(14alpha)-8,14-dimethyl-13-oxopodocarpan-14-yl]-4,8-dimethyl-3-nonanone 13,17-Secodammarane-13,17-dione
CAS Registry Number 110673-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)23(31)15-19-30(8)26(32)14-13-25-28(6)18-10-17-27(4,5)24(28)16-20-29(25,30)7/h21-22,24-25H,9-20H2,1-8H3/t22-,24?,25-,28+,29-,30+/m1/s1
InChIKey ZDURBUBPRKZOPD-YPQFHTMLSA-N
Molecular Weight 444.744 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC(C3CC2)(C)C)C)(CCC([C@@]1(CCC(=O)[C@@](CCCC(C)C)(C)[H])C)=O)[H])C
SPLASH splash10-0f6x-0892700000-4ffe4f4588d8f1879d34
Source of Spectrum F-42-5624-2
Wiley ID 1386244