SpectraBase Compound ID | 6k9xpRLdanZ |
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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 |
SpectraBase Spectrum ID | 9Vfe5Kk5yk |
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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 |