| SpectraBase Compound ID | Gsw9ZLY55hs |
|---|---|
| InChI | InChI=1S/C46H60N8O12/c1-26(10-6-4-5-7-11-27-14-16-30(66-3)17-15-27)42(61)43(62)41-44(63)46(65)52-33-20-37(57)50-34(33)21-40(60)54(2)25-39(59)51-35(18-28-22-47-32-13-9-8-12-31(28)32)45(64)49-24-38(58)48-23-29(55)19-36(56)53-41/h7-9,11-17,21-22,26,29,33,35,41-44,47,55,61-63H,4-6,10,18-20,23-25H2,1-3H3,(H,48,58)(H,49,64)(H,50,57)(H,51,59)(H,52,65)(H,53,56)/b11-7+,34-21-/t26-,29+,33-,35+,41+,42-,43-,44-/m0/s1 |
| InChIKey | KWVQCWQWAFQFOK-KXJGCSJVSA-N |
| Mol Weight | 917.0 g/mol |
| Molecular Formula | C46H60N8O12 |
| Exact Mass | 916.433069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9e5DmlTNjcq |
|---|---|
| Name | MICROSCLERODERMIN-J |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H60N8O12 |
| InChI | InChI=1S/C46H60N8O12/c1-26(10-6-4-5-7-11-27-14-16-30(66-3)17-15-27)42(61)43(62)41-44(63)46(65)52-33-20-37(57)50-34(33)21-40(60)54(2)25-39(59)51-35(18-28-22-47-32-13-9-8-12-31(28)32)45(64)49-24-38(58)48-23-29(55)19-36(56)53-41/h7-9,11-17,21-22,26,29,33,35,41-44,47,55,61-63H,4-6,10,18-20,23-25H2,1-3H3,(H,48,58)(H,49,64)(H,50,57)(H,51,59)(H,52,65)(H,53,56)/b11-7+,34-21-/t26-,29+,33-,35+,41+,42-,43-,44-/m0/s1 |
| InChIKey | KWVQCWQWAFQFOK-KXJGCSJVSA-N |
| Literature Reference Author | X.ZHANG,M.R.JACOB,R.R.RAO,Y.H.WANG,A.K.AGARWAL,D.J.NEWMAN,I. A.KHAN,A.M.CLARK,X.C |
| Literature Reference Citation | RES.REP.MED.CHEM.,2,7(2012) |
| Molecular Weight | 917.029 g/mol |
| Sample ID | 73310 |
| Solvent | DMSO-D6 |