| SpectraBase Compound ID | HkjBQluNogt |
|---|---|
| InChI | InChI=1S/C46H60N8O13/c1-25(10-6-4-5-7-11-26-14-16-29(67-3)17-15-26)40(60)41(61)39-43(63)46(66)53-38-32(51-45(65)42(38)62)20-37(59)54(2)24-36(58)50-33(18-27-21-47-31-13-9-8-12-30(27)31)44(64)49-23-35(57)48-22-28(55)19-34(56)52-39/h7-9,11-17,20-21,25,28,33,38-43,47,55,60-63H,4-6,10,18-19,22-24H2,1-3H3,(H,48,57)(H,49,64)(H,50,58)(H,51,65)(H,52,56)(H,53,66)/b11-7+,32-20-/t25-,28+,33+,38+,39+,40-,41-,42+,43-/m0/s1 |
| InChIKey | PYRRIVWFGJKYMQ-LISVZTLDSA-N |
| Mol Weight | 933.0 g/mol |
| Molecular Formula | C46H60N8O13 |
| Exact Mass | 932.427984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yiaqQYK1MQ |
|---|---|
| Name | MICROSCLERODERMIN-K |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H60N8O13 |
| InChI | InChI=1S/C46H60N8O13/c1-25(10-6-4-5-7-11-26-14-16-29(67-3)17-15-26)40(60)41(61)39-43(63)46(66)53-38-32(51-45(65)42(38)62)20-37(59)54(2)24-36(58)50-33(18-27-21-47-31-13-9-8-12-30(27)31)44(64)49-23-35(57)48-22-28(55)19-34(56)52-39/h7-9,11-17,20-21,25,28,33,38-43,47,55,60-63H,4-6,10,18-19,22-24H2,1-3H3,(H,48,57)(H,49,64)(H,50,58)(H,51,65)(H,52,56)(H,53,66)/b11-7+,32-20-/t25-,28+,33+,38+,39+,40-,41-,42+,43-/m0/s1 |
| InChIKey | PYRRIVWFGJKYMQ-LISVZTLDSA-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 | 933.028 g/mol |
| Sample ID | 73311 |
| Solvent | DMSO-D6 |