| SpectraBase Compound ID | 2dRSHCI6vVi |
|---|---|
| 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-/m1/s1 |
| InChIKey | OYVAGSVQBOHSSS-UDARPQTJSA-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 | 5OPr9jvS0WY |
|---|---|
| Name | BLEOMYCIN-A2 |
| CAS Registry Number | 11116-31-7 |
| 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-/m1/s1 |
| InChIKey | OYVAGSVQBOHSSS-UDARPQTJSA-O |
| Literature Reference Author | W.WU,D.E.VANDERWALL,C.J.TURNER,J.W.KOZARICH,J.A.STUBBE |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,1281(1996) |
| Literature Reference DOI | 10.1021/ja952497w |
| Molecular Weight | 1415.553 g/mol |
| Sample ID | 38344 |
| Solvent | D2O;PH=6.4 |