| SpectraBase Spectrum ID |
KyT2qdntJOs |
| Name |
21H-Biline-8,12-dipropanoic acid, 18-ethyl-1,2,3,19,23,24-hexahydro-3-(1-methoxyethyl)-2,7,13,17-tetram ethyl-1,19-dioxo-, dimethyl ester, [2R*,3R*(R*)]-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
646.336649830 u |
| Formula |
C36H46N4O7 |
| InChI |
InChI=1S/C36H46N4O7/c1-10-23-18(2)28(39-36(23)44)15-26-19(3)24(11-13-32(41)46-8)29(37-26)17-30-25(12-14-33(42)47-9)20(4)27(38-30)16-31-34(22(6)45-7)21(5)35(43)40-31/h15-17,21-22,34,37-38H,10-14H2,1-9H3,(H,39,44)/b27-16-,28-15-,30-17- |
| InChIKey |
LVKGNXGWKOWYMB-ZHXZQDCLSA-N |
| Molecular Weight |
646.785 g/mol |
| SMILES |
C=1(NC(\C=C\2NC(=O)C(=C2C)CC)=C(C1CCC(=O)OC)C)\C=C\1N\C(=C/C2=NC(=O)C(C2C(OC)C)C)C(=C1CCC(=O)OC)C |
![21H-Biline-8,12-dipropanoic acid, 18-ethyl-1,2,3,19,23,24-hexahydro-3-(1-methoxyethyl)-2,7,13,17-tetram ethyl-1,19-dioxo-, dimethyl ester, [2R*,3R*(R*)]-(.+-.)-](/api/spectrum/KyT2qdntJOs/structure.png?h=300&w=458 "21H-Biline-8,12-dipropanoic acid, 18-ethyl-1,2,3,19,23,24-hexahydro-3-(1-methoxyethyl)-2,7,13,17-tetram ethyl-1,19-dioxo-, dimethyl ester, [2R*,3R*(R*)]-(.+-.)-")
