| SpectraBase Compound ID | 6RBdfc4a2NB |
|---|---|
| InChI | InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51) |
| InChIKey | OFDNQWIFNXBECV-UHFFFAOYSA-N |
| Mol Weight | 785.1 g/mol |
| Molecular Formula | C42H68N6O6S |
| Exact Mass | 784.492105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63EvcArCn6R |
|---|---|
| Name | Dolastin 10 |
| CAS Registry Number | 110417-88-4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H68N6O6S |
| InChI | InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51) |
| InChIKey | OFDNQWIFNXBECV-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-400 |
| Literature Reference | G.R. Pettit, Y. Kamano, C.L. Herald, J. Am. Chem. Soc. 109, 6883 (1987). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD2Cl2 |