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17-Norcorynan-18,18-dicarboxylic acid, 16-(3-methoxy-1,3-dioxopropoxy)-21-oxo-, dimethyl ester, (3.beta.)-(.+-.)-
SpectraBase Compound ID LDA745HvapU
InChI InChI=1S/C26H30N2O9/c1-34-21(29)12-22(30)37-13-14-10-20-23-16(15-6-4-5-7-19(15)27-23)8-9-28(20)24(31)17(14)11-18(25(32)35-2)26(33)36-3/h4-7,14,17-18,20,27H,8-13H2,1-3H3/t14-,17-,20-/m1/s1
InChIKey SPUVIHHMEIWUTC-WIBUTAKZSA-N
Mol Weight 514.53 g/mol
Molecular Formula C26H30N2O9
Exact Mass 514.195131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRukCwvBD61
Name 17-Norcorynan-18,18-dicarboxylic acid, 16-(3-methoxy-1,3-dioxopropoxy)-21-oxo-, dimethyl ester, (3.beta.)-(.+-.)-
Alternate Name(s) Dimethyl 2-[((2S,3R,12bR)-2-{[(3-methoxy-3-oxopropanoyl)oxy]methyl}-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl)methyl]malonate Dimethylester of[1,2,3,4,6,7,12,12b.beta.-octahydro-2.beta.-[(methoxycarbonyl)acetoxymethyl]indolo[2,3-a]quinolizin-3.alpha.-ylmethyl]malonic acid Indolo[2,3-a]quinolizine, 17-norcorynan-18,18-dicarboxylic acid deriv.
CAS Registry Number 78381-10-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O9
InChI InChI=1S/C26H30N2O9/c1-34-21(29)12-22(30)37-13-14-10-20-23-16(15-6-4-5-7-19(15)27-23)8-9-28(20)24(31)17(14)11-18(25(32)35-2)26(33)36-3/h4-7,14,17-18,20,27H,8-13H2,1-3H3/t14-,17-,20-/m1/s1
InChIKey SPUVIHHMEIWUTC-WIBUTAKZSA-N
Molecular Weight 514.531 g/mol
SMILES [nH]1c2ccccc2c2CCN3[C@@](c12)(C[C@@]([C@](C3=O)(CC(C(=O)OC)C(=O)OC)[H])(COC(CC(=O)OC)=O)[H])[H]
SPLASH splash10-03ys-0974340000-a383b34edd05668855bf
Source of Spectrum K-114-1918-0
Wiley ID 1401083