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14-O-deacetylpubescenine

View entire compound with spectra: 1 MS (GC)

14-O-deacetylpubescenine
SpectraBase Compound ID FDx8ScRDv4U
InChI InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(32-4,16(13)17(12)27)24(29,20(23)25)19(28)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-/m1/s1
InChIKey HLDBYZYVVCQENK-XPNTWQBHSA-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 6Jw0HPSv48j
Name 14-O-deacetylpubescenine
Alternate Name(s) (1alpha,6alpha,7beta,14alpha,16beta)-20-ethyl-8,16-dimethoxy-4-(methoxymethyl)aconitane-1,6,7,14-tetrol 20-Ethyl-8,16-dimethoxy-4-(methoxymethyl)aconitane-1,6,7,14-tetrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39NO7
InChI InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(32-4,16(13)17(12)27)24(29,20(23)25)19(28)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-/m1/s1
InChIKey HLDBYZYVVCQENK-XPNTWQBHSA-N
Molecular Weight 453.576 g/mol
SMILES O[C@@]1([C@@]2([C@]3([C@@]4([C@@]5([C@]6([C@](CC[C@@]([C@]6([C@]4(O)[H])[H])(COC)CN5CC)(O)[H])[C@@]2(C[C@@]1([C@](C3)(OC)[H])[H])[H])[H])O)OC)[H])[H]
SPLASH splash10-00dr-0000900000-6bf8df36d8fd0a56b198
Source of Spectrum H-87-2119-6
Wiley ID 1564043