| SpectraBase Compound ID | EFYYSU19fzE |
|---|---|
| InChI | InChI=1S/C41H68O12/c1-19-27(46)29(48)30(49)34(51-19)53-31-28(47)23(45)18-50-35(31)52-26-11-12-38(6)24(36(26,3)4)10-13-40(8)25(38)16-21(43)33-39(7)15-14-37(5,20(2)42)32(39)22(44)17-41(33,40)9/h19,21-35,43-49H,10-18H2,1-9H3/t19-,21+,22-,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33+,34-,35-,37-,38-,39-,40+,41+/m0/s1 |
| InChIKey | OSVTYUORXDHUAY-YWWDTDLISA-N |
| Mol Weight | 753.0 g/mol |
| Molecular Formula | C41H68O12 |
| Exact Mass | 752.471078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8diYHZ2ekWA |
|---|---|
| Name | SPERGULACIN-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H68O12 |
| InChI | InChI=1S/C41H68O12/c1-19-27(46)29(48)30(49)34(51-19)53-31-28(47)23(45)18-50-35(31)52-26-11-12-38(6)24(36(26,3)4)10-13-40(8)25(38)16-21(43)33-39(7)15-14-37(5,20(2)42)32(39)22(44)17-41(33,40)9/h19,21-35,43-49H,10-18H2,1-9H3/t19-,21+,22-,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33+,34-,35-,37-,38-,39-,40+,41+/m0/s1 |
| InChIKey | OSVTYUORXDHUAY-YWWDTDLISA-N |
| Literature Reference Author | N.P.SAHU,K.KOIKE,S.BANERJEE,B.ACHARI,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,58,1177(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00346-6 |
| Molecular Weight | 752.984 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU3123 |