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Grandiflorine
SpectraBase Compound ID 6k9xpRLdanZ
InChI InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1
InChIKey KPRGJDVXJLTFLK-ITNXDDNLSA-N
Mol Weight 668.8 g/mol
Molecular Formula C36H48N2O10
Exact Mass 668.330896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Vfe5Kk5yk
Name Grandiflorine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48N2O10
InChI InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(39)35-21-14-20-23(45-3)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1
InChIKey KPRGJDVXJLTFLK-ITNXDDNLSA-N
Molecular Weight 668.784 g/mol
SMILES O[C@]1(CC[C@]2(CN(C3[C@@]11[C@@]4(C[C@]5([C@@]([C@@]4([C@@]([C@]3([C@]([C@]21[H])(OC)[H])O)(C[C@@]5(OC)[H])O)[H])(OC)[H])[H])[H])CC)COC(c1c(N2C(C[C@@](C2=O)(C)[H])=O)cccc1)=O)[H]
SPLASH splash10-0f79-0010009000-10dafc3870da1834b027
Source of Spectrum G4-61-1089-1
Synonyms [(1alpha,6beta,14alpha,16beta)-20-ethyl-1,7,8-trihydroxy-6,14,16-trimethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidinyl]benzoate
Wiley ID 1607404