| SpectraBase Compound ID | KAaPpE4vXfE |
|---|---|
| InChI | InChI=1S/C42H64O15/c1-24(43)32-20-29-15-26(17-35(46)52-10)22-41(49,56-29)39(5,6)12-11-28-13-25(16-34(45)51-9)14-31(53-28)23-42(50)40(7,8)33(55-37(48)38(2,3)4)21-30(57-42)18-27(44)19-36(47)54-32/h11-12,16-17,24,27-33,43-44,49-50H,13-15,18-23H2,1-10H3/b12-11+,25-16-,26-17-/t24-,27+,28-,29-,30+,31-,32+,33-,41-,42-/m0/s1 |
| InChIKey | AVJAOOKIOFJJOC-AWIGDXNBSA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C42H64O15 |
| Exact Mass | 808.424521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | T63XesyzVu |
|---|---|
| Name | BrYOSTATIN-18 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O15 |
| InChI | InChI=1S/C42H64O15/c1-24(43)32-20-29-15-26(17-35(46)52-10)22-41(49,56-29)39(5,6)12-11-28-13-25(16-34(45)51-9)14-31(53-28)23-42(50)40(7,8)33(55-37(48)38(2,3)4)21-30(57-42)18-27(44)19-36(47)54-32/h11-12,16-17,24,27-33,43-44,49-50H,13-15,18-23H2,1-10H3/b12-11+,25-16-,26-17-/t24-,27+,28-,29-,30+,31-,32+,33-,41-,42-/m0/s1 |
| InChIKey | AVJAOOKIOFJJOC-AWIGDXNBSA-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 | 808.961 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWVP2347 |