| SpectraBase Compound ID | JEpDvKh0VRW |
|---|---|
| InChI | InChI=1S/C42H46O15/c1-16-7-8-53-38(50)26(56-18(3)43)13-29(44)54-14-21-23-12-27-39(4,24-11-25(24)41(27,51)15-55-35(16)47)28-10-20-19-9-22(19)40(5)31(20)32(42(23,28)57-37(21)49)30(33(45)34(40)46)17(2)36(48)52-6/h7,19,22,24-28,32,34,46,51H,8-15H2,1-6H3/b16-7+,30-17-/t19-,22-,24-,25+,26+,27-,28+,32+,34+,39+,40+,41+,42+/m1/s1 |
| InChIKey | ADJGXPUZMBQGOG-IYEHQSOQSA-N |
| Mol Weight | 790.8 g/mol |
| Molecular Formula | C42H46O15 |
| Exact Mass | 790.283671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkUQQJef7Zg |
|---|---|
| Name | SARCANDROLIDE_C;2'''-O-ACETYLSHIZUKAOL_G |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O15 |
| InChI | InChI=1S/C42H46O15/c1-16-7-8-53-38(50)26(56-18(3)43)13-29(44)54-14-21-23-12-27-39(4,24-11-25(24)41(27,51)15-55-35(16)47)28-10-20-19-9-22(19)40(5)31(20)32(42(23,28)57-37(21)49)30(33(45)34(40)46)17(2)36(48)52-6/h7,19,22,24-28,32,34,46,51H,8-15H2,1-6H3/b16-7+,30-17-/t19-,22-,24-,25+,26+,27-,28+,32+,34+,39+,40+,41+,42+/m1/s1 |
| InChIKey | ADJGXPUZMBQGOG-IYEHQSOQSA-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 | 790.818 g/mol |
| Sample ID | 34342 |
| Solvent | CDCl3 |