| SpectraBase Compound ID | 8theFiqiai7 |
|---|---|
| InChI | InChI=1S/C41H72O15/c1-11-20(2)12-21(3)13-26(8)38(56-41-37(52)36(51)35(50)31(19-44)54-41)27(9)15-24(6)32(47)22(4)14-23(5)33(48)25(7)16-28(10)40(53)55-39(30(46)18-43)34(49)29(45)17-42/h13-16,20-22,25,27,29-39,41-52H,11-12,17-19H2,1-10H3/b23-14+,24-15+,26-13+,28-16+/t20-,21-,22-,25-,27-,29+,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,41-/m1/s1 |
| InChIKey | ZDTPAUDBSLWUGF-LKGRHMEMSA-N |
| Mol Weight | 805.0 g/mol |
| Molecular Formula | C41H72O15 |
| Exact Mass | 804.487122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPv2M6a5qEV |
|---|---|
| Name | TMC-171A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H72O15 |
| InChI | InChI=1S/C41H72O15/c1-11-20(2)12-21(3)13-26(8)38(56-41-37(52)36(51)35(50)31(19-44)54-41)27(9)15-24(6)32(47)22(4)14-23(5)33(48)25(7)16-28(10)40(53)55-39(30(46)18-43)34(49)29(45)17-42/h13-16,20-22,25,27,29-39,41-52H,11-12,17-19H2,1-10H3/b23-14+,24-15+,26-13+,28-16+/t20-,21-,22-,25-,27-,29+,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,41-/m1/s1 |
| InChIKey | ZDTPAUDBSLWUGF-LKGRHMEMSA-N |
| Literature Reference Author | J.KOHNO,Y.ASAI,M.NISHIO,M.SAKURAI,K.KAWANO,H.HIRAMATSU,N.KAM EDA,N.KISHI,T.OKUDA, |
| Literature Reference Citation | J.ANTIBIOTICS,52,1114(1999) |
| Literature Reference DOI | 10.7164/antibiotics.52.1114 |
| Molecular Weight | 805.014 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU1094 |