| SpectraBase Spectrum ID |
EOdG9zoPvXi |
| Name |
10-Desmethoxy-10-N-cystino-dicholchamine |
| Alternate Name(s) |
3-[[2-carboxy-2-[[1,2,3-trimethoxy-7-(methylamino)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethyl]disulfanyl]-2-[[1,2,3-trimethoxy-7-(methylamino)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propanoic acid
3-[[3-oxidanyl-3-oxidanylidene-2-[[1,2,3-trimethoxy-7-(methylamino)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl]disulfanyl]-2-[[1,2,3-trimethoxy-7-(methylamino)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H54N4O12S2 |
| InChI |
InChI=1S/C46H54N4O12S2/c1-47-29-13-9-23-17-37(57-3)41(59-5)43(61-7)39(23)25-11-15-31(35(51)19-27(25)29)49-33(45(53)54)21-63-64-22-34(46(55)56)50-32-16-12-26-28(20-36(32)52)30(48-2)14-10-24-18-38(58-4)42(60-6)44(62-8)40(24)26/h11-12,15-20,29-30,33-34,47-48H,9-10,13-14,21-22H2,1-8H3,(H,49,51)(H,50,52)(H,53,54)(H,55,56) |
| InChIKey |
YKKWABYZMINJDX-UHFFFAOYSA-N |
| Molecular Weight |
919.074 g/mol |
| SMILES |
N(C1=CC=C2C(C(CCc3cc(c(c(c23)OC)OC)OC)NC)=CC1=O)C(CSSCC(C(=O)O)NC=1C(C=C2C(CCc3cc(c(c(c3C2=CC1)OC)OC)OC)NC)=O)C(=O)O |
| SPLASH |
splash10-0a4i-0019000000-5812a8d3c9053a2029b9 |
| Source of Spectrum |
X3-35-561-6 |
| Wiley ID |
1691733 |
