| SpectraBase Spectrum ID |
IJFUC9XJUEV |
| Name |
21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,13,18-hexamethyl-1,19-dioxo-12-[3-oxo-3-[[2-[[(phenylmethoxy)carbonyl]amino]ethyl]amino]propyl]-, methyl ester, (.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
764.389748031 u |
| Formula |
C43H52N6O7 |
| InChI |
InChI=1S/C43H52N6O7/c1-9-29-27(5)40(52)48-35(29)21-34-26(4)30(15-16-38(50)44-17-18-45-42(54)56-23-28-13-11-10-12-14-28)36(47-34)20-32-24(2)25(3)33(46-32)22-37-31(19-39(51)55-8)43(6,7)41(53)49-37/h10-14,20-22,31,47H,9,15-19,23H2,1-8H3,(H,44,50)(H,45,54)(H,48,52)(H,49,53)/b32-20-,35-21-,37-22- |
| InChIKey |
QXRAXXQSTJEUCI-HTJRKWKSSA-N |
| Molecular Weight |
764.924 g/mol |
| SMILES |
C1(=N\C(C(=C1C)C)=C\C=1NC(\C=C\2NC(=O)C(=C2CC)C)=C(C1CCC(=O)NCCNC(=O)OCC1=CC=CC=C1)C)\C=C\1NC(=O)C(C1CC(=O)OC)(C)C |
![21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,13,18-hexamethyl-1,19-dioxo-12-[3-oxo-3-[[2-[[(phenylmethoxy)carbonyl]amino]ethyl]amino]propyl]-, methyl ester, (.+-.)-](/api/spectrum/IJFUC9XJUEV/structure.png?h=300&w=458 "21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,13,18-hexamethyl-1,19-dioxo-12-[3-oxo-3-[[2-[[(phenylmethoxy)carbonyl]amino]ethyl]amino]propyl]-, methyl ester, (.+-.)-")
