| SpectraBase Compound ID | 1OsHLQlUrqs |
|---|---|
| InChI | InChI=1S/C52H74N8O13S/c1-10-16-40(62)56-43(30(6)11-2)48(67)54-36(25-26-74(9)72)46(65)58-44-31(7)73-52(71)42(29(4)5)57-47(66)38(27-33-19-21-34(61)22-20-33)59(8)51(70)39(28-32-17-14-13-15-18-32)60-41(63)24-23-37(50(60)69)55-45(64)35(12-3)53-49(44)68/h12-15,17-22,29-31,36-39,41-44,61,63H,10-11,16,23-28H2,1-9H3,(H,53,68)(H,54,67)(H,55,64)(H,56,62)(H,57,66)(H,58,65)/b35-12-/t30-,31+,36+,37-,38-,39+,41+,42-,43-,44-,74?/m0/s1 |
| InChIKey | ZXPCHASEFBWLAG-OLACQWLTSA-N |
| Mol Weight | 1051.3 g/mol |
| Molecular Formula | C52H74N8O13S |
| Exact Mass | 1050.509606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 681ETVI57A7 |
|---|---|
| Name | SYMPLOSTATIN-2 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H74N8O13S |
| InChI | InChI=1S/C52H74N8O13S/c1-10-16-40(62)56-43(30(6)11-2)48(67)54-36(25-26-74(9)72)46(65)58-44-31(7)73-52(71)42(29(4)5)57-47(66)38(27-33-19-21-34(61)22-20-33)59(8)51(70)39(28-32-17-14-13-15-18-32)60-41(63)24-23-37(50(60)69)55-45(64)35(12-3)53-49(44)68/h12-15,17-22,29-31,36-39,41-44,61,63H,10-11,16,23-28H2,1-9H3,(H,53,68)(H,54,67)(H,55,64)(H,56,62)(H,57,66)(H,58,65)/b35-12-/t30-,31+,36+,37-,38-,39+,41+,42-,43-,44-,74?/m0/s1 |
| InChIKey | ZXPCHASEFBWLAG-OLACQWLTSA-N |
| Literature Reference Author | G.G.HARRIGAN,H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,D.G.NAGLE,V.J.PA UL |
| Literature Reference Citation | J.NAT.PROD.,62,655(1999) |
| Literature Reference DOI | 10.1021/np980553b |
| Molecular Weight | 1051.265 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWGE735 |