| SpectraBase Compound ID | HpvrYEQEZDs |
|---|---|
| InChI | InChI=1S/C42H62O14/c1-24(43)32-21-29-14-26(18-36(46)51-10)16-33(53-29)40(5,6)12-11-28-13-25(17-35(45)50-9)15-31(52-28)23-42(49)41(7,8)34(55-38(48)39(2,3)4)22-30(56-42)19-27(44)20-37(47)54-32/h11-12,16-18,24,27-32,34,43-44,49H,13-15,19-23H2,1-10H3/b12-11+,25-17-,26-18-/t24-,27+,28-,29-,30+,31-,32+,34-,42-/m0/s1 |
| InChIKey | QMDQQCXRPALIRV-BDYBPABESA-N |
| Mol Weight | 790.9 g/mol |
| Molecular Formula | C42H62O14 |
| Exact Mass | 790.413957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lFK4URmSkK |
|---|---|
| Name | BrYOSTATIN-17 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62O14 |
| InChI | InChI=1S/C42H62O14/c1-24(43)32-21-29-14-26(18-36(46)51-10)16-33(53-29)40(5,6)12-11-28-13-25(17-35(45)50-9)15-31(52-28)23-42(49)41(7,8)34(55-38(48)39(2,3)4)22-30(56-42)19-27(44)20-37(47)54-32/h11-12,16-18,24,27-32,34,43-44,49H,13-15,19-23H2,1-10H3/b12-11+,25-17-,26-18-/t24-,27+,28-,29-,30+,31-,32+,34-,42-/m0/s1 |
| InChIKey | QMDQQCXRPALIRV-BDYBPABESA-N |
| Literature Reference Author | G.R.PETTIT,F.GAO,P.M.BLUMBERG,C.L.HERALD,J.C.COLL,Y.KAMANO,N .E.LEWIN,J.M.SCHMIDT |
| Literature Reference Citation | J.NAT.PROD.,59,286(1996) |
| Literature Reference DOI | 10.1021/np960100b |
| Molecular Weight | 790.946 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWVP2346 |