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24-epi-22,23-dihydrooccelasterol acetate
SpectraBase Compound ID 8rlSWQ3GFOz
InChI InChI=1S/C29H48O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t19-,20-,23+,24?,25-,26?,27?,28+,29-/m1/s1
InChIKey WEZPVJHFDITLLZ-KKYLZEJASA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALAWoSYXHH1
Name 24-epi-22,23-dihydrooccelasterol acetate
Alternate Name(s) (2R,5S,14R,15R)-2,15-dimethyl-14-[(2R,5R)-5-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate
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Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t19-,20-,23+,24?,25-,26?,27?,28+,29-/m1/s1
InChIKey WEZPVJHFDITLLZ-KKYLZEJASA-N
Molecular Weight 428.701 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC[C@@]1([C@@](CC[C@@](CC)(C)[H])(C)[H])[H])C
SPLASH splash10-014i-4937000000-c0a2c51e066b60d80947
Source of Spectrum SD-1992-0-0
Wiley ID 1380916