| SpectraBase Compound ID | 3WO66W5lIra |
|---|---|
| InChI | InChI=1S/C37H42O12/c1-7-14(2)28(39)47-13-35(44)22-8-19(22)32(5)23(35)10-18-17(12-46-16(4)38)30(41)48-36(18)24(32)11-34(43)21-9-20(21)33(6)27(34)26(36)25-15(3)29(40)49-37(25,45)31(33)42/h7,19-24,31,42-45H,8-13H2,1-6H3/b14-7+/t19-,20-,21+,22+,23-,24+,31-,32+,33+,34+,35+,36+,37+/m1/s1 |
| InChIKey | FYTGVSJFROTUKO-FFTXOPGASA-N |
| Mol Weight | 678.7 g/mol |
| Molecular Formula | C37H42O12 |
| Exact Mass | 678.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3744Wzpl6Ic |
|---|---|
| Name | SARCANDROLIDE_D |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42O12 |
| InChI | InChI=1S/C37H42O12/c1-7-14(2)28(39)47-13-35(44)22-8-19(22)32(5)23(35)10-18-17(12-46-16(4)38)30(41)48-36(18)24(32)11-34(43)21-9-20(21)33(6)27(34)26(36)25-15(3)29(40)49-37(25,45)31(33)42/h7,19-24,31,42-45H,8-13H2,1-6H3/b14-7+/t19-,20-,21+,22+,23-,24+,31-,32+,33+,34+,35+,36+,37+/m1/s1 |
| InChIKey | FYTGVSJFROTUKO-FFTXOPGASA-N |
| Literature Reference Author | X.F.HE,S.YIN,Y.C.JI,Z.S.SU,M.Y.GENG,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,73,45(2010) |
| Literature Reference DOI | 10.1021/np9006469 |
| Molecular Weight | 678.733 g/mol |
| Sample ID | 34343 |
| Solvent | CDCl3 |