| SpectraBase Compound ID | 4SUcTAGgykD |
|---|---|
| InChI | InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23?,24?,25-,28?,29+,30+,33+,34-,35-,36?,37+/m1/s1 |
| InChIKey | IZUSQHCHSMJXLV-GAPORBHASA-N |
| Mol Weight | 981.5 g/mol |
| Molecular Formula | C45H69ClN8O14 |
| Exact Mass | 980.462177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A27neXXA8tW |
|---|---|
| Name | SCYPTOLIN-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H69ClN8O14 |
| InChI | InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23?,24?,25-,28?,29+,30+,33+,34-,35-,36?,37+/m1/s1 |
| InChIKey | IZUSQHCHSMJXLV-GAPORBHASA-N |
| Literature Reference Author | U.MATERN,L.OBERER,R.A.FALCHETTO,M.ERHARD,W.A.KOENIG,M.HERDMA NN,J.WECKESSER |
| Literature Reference Citation | PHYTOCHEM.,58,1087(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00400-9 |
| Molecular Weight | 981.541 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU3066 |