| SpectraBase Compound ID | ByefRH0YMv |
|---|---|
| InChI | InChI=1S/C43H70N6O6S/c1-13-28(5)37(48(10)43(53)36(27(3)4)46-41(52)38(47(8)9)29(6)14-2)34(54-11)26-35(50)49-23-18-21-33(49)39(55-12)30(7)40(51)45-32(42-44-22-24-56-42)25-31-19-16-15-17-20-31/h15-17,19-20,22,24,27-30,32-34,36-39H,13-14,18,21,23,25-26H2,1-12H3,(H,45,51)(H,46,52)/t28?,29?,30-,32-,33+,34-,36+,37+,38-,39-/m0/s1 |
| InChIKey | OJSUENRPBJADBN-AYEDTAPMSA-N |
| Mol Weight | 799.1 g/mol |
| Molecular Formula | C43H70N6O6S |
| Exact Mass | 798.507755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vgUwkUsuqM |
|---|---|
| Name | SYMPLOSTATIN-1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H70N6O6S |
| InChI | InChI=1S/C43H70N6O6S/c1-13-28(5)37(48(10)43(53)36(27(3)4)46-41(52)38(47(8)9)29(6)14-2)34(54-11)26-35(50)49-23-18-21-33(49)39(55-12)30(7)40(51)45-32(42-44-22-24-56-42)25-31-19-16-15-17-20-31/h15-17,19-20,22,24,27-30,32-34,36-39H,13-14,18,21,23,25-26H2,1-12H3,(H,45,51)(H,46,52)/t28?,29?,30-,32-,33+,34-,36+,37+,38-,39-/m0/s1 |
| InChIKey | OJSUENRPBJADBN-AYEDTAPMSA-N |
| Literature Reference Author | G.G.HARRIGAN,H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,D.G.NAGLE,V.J.PA UL,S.L.MOOBERRY,T.H. |
| Literature Reference Citation | J.NAT.PROD.,61,1075(1998) |
| Literature Reference DOI | 10.1021/np980321c |
| Molecular Weight | 799.125 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWCP2150 |