| SpectraBase Spectrum ID |
O3m4cqGIeo |
| Name |
(4S,7S,17S,20S)-4,7,17,20-tetrabenzyl-2,5,8,16,19,22-hexaoxo-3,6,9,15,18,21-hexaaza-1(1,3)-benzenacyclodocosaphane-10-carboxylic acid |
| Appearance |
Yellowish white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H52N6O8 |
| InChI |
InChI=1S/C50H52N6O8/c57-44-37-24-15-25-38(32-37)45(58)54-42(30-35-20-9-3-10-21-35)49(62)56-43(31-36-22-11-4-12-23-36)47(60)52-39(50(63)64)26-13-14-27-51-46(59)40(28-33-16-5-1-6-17-33)55-48(61)41(53-44)29-34-18-7-2-8-19-34/h1-12,15-25,32,39-43H,13-14,26-31H2,(H,51,59)(H,52,60)(H,53,57)(H,54,58)(H,55,61)(H,56,62)(H,63,64)/t39-,40-,41-,42-,43-/m0/s1 |
| InChIKey |
CTAYPUDGOCDTJD-ZSDKEGLESA-N |
| Instrument Name |
Hewlett-Packard 5988 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/aoc.6515 |
| Molecular Weight |
865.000 g/mol |
| Optical Rotation |
[a]D25 = -13.6 (C = 0.03, MeOH) |
| SMILES |
N1C(c2cccc(C(N[C@](C(N[C@](C(N[C@](C(O)=O)(CCCCNC([C@@](NC([C@@]1(Cc1ccccc1)[H])=O)(Cc1ccccc1)[H])=O)[H])=O)(Cc1ccccc1)[H])=O)(Cc1ccccc1)[H])=O)c2)=O |
| SPLASH |
splash10-0gdi-9511100000-4c7290a14ebc74a2eaf2 |
| Source of Spectrum |
AOC-36-4-BOABCA |
| Wiley ID |
1870813 |
