| SpectraBase Compound ID | JdkVS8zNr1b |
|---|---|
| InChI | InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3 |
| InChIKey | NGZXDRGWBULKFA-UHFFFAOYSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C36H38N2O6 |
| Exact Mass | 594.272987 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 31fIj9YS2QG |
|---|---|
| Name | 6,6'-Dimethoxy-2,2'-dimethyltubocuraran-7',12'-diol |
| Alternate Name(s) | 1.beta.-Tubocurarine, 2'-demethyl-, (.+/-.)- 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3',2':14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline-9,19-diol, 2,3,13a,14,15,16,25,25a-octahydro-18,29-dimethoxy-1,14-dimethyl-, (.+/-.)- Bebeerine, (.+/-.)- Hayatine Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, (1.beta.)-(.+/-.)- |
| CAS Registry Number | 26057-51-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H38N2O6 |
| InChI | InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3 |
| InChIKey | NGZXDRGWBULKFA-UHFFFAOYSA-N |
| Molecular Weight | 594.708 g/mol |
| SMILES | Oc1c(cc2CCN(C3c2c1Oc1ccc(CC2c4cc(Oc5c(ccc(C3)c5)O)c(cc4CCN2C)OC)cc1)C)OC |
| SPLASH | splash10-0002-0690010000-2430f1d083be630fdee0 |
| Source of Spectrum | AD-0-4814-0 |
| Wiley ID | 65146 |