| SpectraBase Compound ID | GypfJdBGfJy |
|---|---|
| InChI | InChI=1S/C38H44O12/c1-8-15(2)31(42)49-14-37(46)23-9-20(23)34(5)24(37)11-19-18(13-48-17(4)39)33(44)50-38(19)25(34)12-36(45)22-10-21(22)35(6)29(36)27(38)26(28(40)30(35)41)16(3)32(43)47-7/h8,20-25,30,41,45-46H,9-14H2,1-7H3/b15-8+,26-16-/t20-,21-,22+,23+,24-,25+,30+,34+,35+,36+,37+,38+/m1/s1 |
| InChIKey | JXHOOGQINSPTID-PVTPHBDQSA-N |
| Mol Weight | 692.8 g/mol |
| Molecular Formula | C38H44O12 |
| Exact Mass | 692.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IicHtNNWN0X |
|---|---|
| Name | SARCANDROLIDE_E |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44O12 |
| InChI | InChI=1S/C38H44O12/c1-8-15(2)31(42)49-14-37(46)23-9-20(23)34(5)24(37)11-19-18(13-48-17(4)39)33(44)50-38(19)25(34)12-36(45)22-10-21(22)35(6)29(36)27(38)26(28(40)30(35)41)16(3)32(43)47-7/h8,20-25,30,41,45-46H,9-14H2,1-7H3/b15-8+,26-16-/t20-,21-,22+,23+,24-,25+,30+,34+,35+,36+,37+,38+/m1/s1 |
| InChIKey | JXHOOGQINSPTID-PVTPHBDQSA-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 | 692.760 g/mol |
| Sample ID | 34344 |
| Solvent | CDCl3 |