| SpectraBase Compound ID | 2UBaaxWWAX6 |
|---|---|
| InChI | InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1 |
| InChIKey | BTPYUWOBZFGKAI-XYGBCAHESA-N |
| Mol Weight | 620.8 g/mol |
| Molecular Formula | C35H56O9 |
| Exact Mass | 620.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsaTYcCfdJ4 |
|---|---|
| Name | CIMIFUGOSIDE;CIMIGENOL-3-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O9 |
| InChI | InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1 |
| InChIKey | BTPYUWOBZFGKAI-XYGBCAHESA-N |
| Literature Reference Author | S.N.CHEN,D.C.LANKIN,D.NIKOLIC,D.S.FABRICANT,Z.Z.LU,B.RAMIREZ ,R.B.VANBREEMEN,H.H. |
| Literature Reference Citation | J.NAT.PROD.,70,1016(2007) |
| Literature Reference DOI | 10.1021/np0700319 |
| Molecular Weight | 620.824 g/mol |
| Sample ID | 30529 |
| Solvent | C5D5N |