| SpectraBase Compound ID | 3zZK2b0YQqm |
|---|---|
| InChI | InChI=1S/C49H70N16O22S2/c1-15-29(63-41(65-39(15)52)19(6-26(51)70)57-8-18(50)40(53)76)43(78)64-31(36(20-9-55-14-58-20)85-48-38(34(74)32(72)24(10-66)84-48)86-47-35(75)37(87-49(54)82)33(73)25(11-67)83-47)44(79)59-16(2)23(69)7-27(71)62-30(17(3)68)42(77)56-5-4-28-60-21(12-88-28)45-61-22(13-89-45)46(80)81/h9,12-14,16-19,23-25,30-38,47-48,57,66-69,72-75H,4-8,10-11,50H2,1-3H3,(H2,51,70)(H2,53,76)(H2,54,82)(H,55,58)(H,56,77)(H,59,79)(H,62,71)(H,64,78)(H,80,81)(H2,52,63,65) |
| InChIKey | QYQIXDOBBGUEJQ-UHFFFAOYSA-N |
| Mol Weight | 1299.3 g/mol |
| Molecular Formula | C49H70N16O22S2 |
| Exact Mass | 1298.4292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KUT23YVB7AX |
|---|---|
| Name | Bleomycin A2 |
| Comments | PH = 6.5 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C49H70N16O22S2 |
| InChI | InChI=1S/C49H70N16O22S2/c1-15-29(63-41(65-39(15)52)19(6-26(51)70)57-8-18(50)40(53)76)43(78)64-31(36(20-9-55-14-58-20)85-48-38(34(74)32(72)24(10-66)84-48)86-47-35(75)37(87-49(54)82)33(73)25(11-67)83-47)44(79)59-16(2)23(69)7-27(71)62-30(17(3)68)42(77)56-5-4-28-60-21(12-88-28)45-61-22(13-89-45)46(80)81/h9,12-14,16-19,23-25,30-38,47-48,57,66-69,72-75H,4-8,10-11,50H2,1-3H3,(H2,51,70)(H2,53,76)(H2,54,82)(H,55,58)(H,56,77)(H,59,79)(H,62,71)(H,64,78)(H,80,81)(H2,52,63,65) |
| InChIKey | QYQIXDOBBGUEJQ-UHFFFAOYSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | F.T. Greenaway, J.C. Dabrowiak, Org. Magn. Resonance 13, 270 (1980). |
| NMR Standard | TMS-PRSO3 Na |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |