| SpectraBase Compound ID | 8BUEIrRVgBb |
|---|---|
| InChI | InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21?,22?,23?,24?,25?,29-,30-,34?,35?,36?,37+,38-,39-,40+,41?,42+,43-,53-,54-/m0/s1 |
| InChIKey | OYVAGSVQBOHSSS-RFLJZSLXSA-O |
| Mol Weight | 1415.6 g/mol |
| Molecular Formula | C55H84N17O21S3 |
| Exact Mass | 1414.518981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Avi5VPfrNe4 |
|---|---|
| Name | BLEOMYCIN-A2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H84N17O21S3 |
| InChI | InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21?,22?,23?,24?,25?,29-,30-,34?,35?,36?,37+,38-,39-,40+,41?,42+,43-,53-,54-/m0/s1 |
| InChIKey | OYVAGSVQBOHSSS-RFLJZSLXSA-O |
| Literature Reference Author | M.A.J.AKKERMAN,E.W.J.F.NEIJMAN,S.S.WIJMENGA,C.W.HILBERS,W.BE RMEL |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,7462(1990) |
| Literature Reference DOI | 10.1021/ja00177a003 |
| Molecular Weight | 1415.553 g/mol |
| Solvent | D2O |