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15-Hydroxyneoline
SpectraBase Compound ID 2zvNBOwDG87
InChI InChI=1S/C24H39NO7/c1-5-25-9-22(10-30-2)7-6-13(26)23-12-8-11-16(27)14(12)24(29,21(28)17(11)31-3)15(20(23)25)18(32-4)19(22)23/h11-21,26-29H,5-10H2,1-4H3/t11?,12?,13?,14?,15?,16?,17-,18?,19?,20?,21?,22+,23?,24-/m1/s1
InChIKey FPECZWKKKKZPPP-DSNNTCGJSA-N
Mol Weight 453.6 g/mol
Molecular Formula C24H39NO7
Exact Mass 453.272653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE17tVVHvii
Name 15-Hydroxyneoline
Alternate Name(s) (16beta)-20-ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,8,14,15-tetrol
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Formula C24H39NO7
InChI InChI=1S/C24H39NO7/c1-5-25-9-22(10-30-2)7-6-13(26)23-12-8-11-16(27)14(12)24(29,21(28)17(11)31-3)15(20(23)25)18(32-4)19(22)23/h11-21,26-29H,5-10H2,1-4H3/t11?,12?,13?,14?,15?,16?,17-,18?,19?,20?,21?,22+,23?,24-/m1/s1
InChIKey FPECZWKKKKZPPP-DSNNTCGJSA-N
Molecular Weight 453.576 g/mol
SMILES OC1C2C3C45C6[C@](CN(C4C([C@]2(C([C@@](C1C3)(OC)[H])O)O)C6OC)CC)(CCC5O)COC
SPLASH splash10-000i-1000900000-329870a14e47e5deba9b
Source of Spectrum CD-278-0-0
Wiley ID 1388501