| SpectraBase Compound ID | 6htLABJCamo |
|---|---|
| InChI | InChI=1S/C36H42O9/c1-8-14(2)30(39)44-13-35(42)22-11-21(22)33(5)23(35)12-19-15(3)32(41)45-36(19)24(33)10-18-17-9-20(17)34(6)26(18)27(36)25(28(37)29(34)38)16(4)31(40)43-7/h8,17,20-24,27,29,38,42H,9-13H2,1-7H3/b14-8+,25-16-/t17-,20-,21-,22+,23-,24+,27+,29+,33+,34+,35+,36+/m1/s1 |
| InChIKey | TUNYYJHZXJEAHU-AGBNGXIVSA-N |
| Mol Weight | 618.7 g/mol |
| Molecular Formula | C36H42O9 |
| Exact Mass | 618.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVGH1IciiSp |
|---|---|
| Name | SARCANDROLIDE_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42O9 |
| InChI | InChI=1S/C36H42O9/c1-8-14(2)30(39)44-13-35(42)22-11-21(22)33(5)23(35)12-19-15(3)32(41)45-36(19)24(33)10-18-17-9-20(17)34(6)26(18)27(36)25(28(37)29(34)38)16(4)31(40)43-7/h8,17,20-24,27,29,38,42H,9-13H2,1-7H3/b14-8+,25-16-/t17-,20-,21-,22+,23-,24+,27+,29+,33+,34+,35+,36+/m1/s1 |
| InChIKey | TUNYYJHZXJEAHU-AGBNGXIVSA-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 | 618.724 g/mol |
| Sample ID | 34340 |
| Solvent | CDCl3 |