| SpectraBase Compound ID | Gf8wYdXPjLq |
|---|---|
| InChI | InChI=1S/C36H58O8/c1-20(2)21(3)9-10-22(4)28-13-14-29(36(28,8)17-18-37)27-12-11-25-19-26(15-16-35(25,7)33(27)41)44-34-31(40)30(39)32(23(5)42-34)43-24(6)38/h11,20,22-23,26-32,34,37,39-40H,3,9-10,12-19H2,1-2,4-8H3/t22-,23-,26+,27+,28-,29+,30+,31+,32-,34+,35+,36-/m1/s1 |
| InChIKey | CIHGETLJKNFXQD-ISVOANGYSA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C36H58O8 |
| Exact Mass | 618.413169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ls0zthnxnxd |
|---|---|
| Name | SINULAROSIDE_B;3-BETA-O-(4'-ACETYL-ALPHA-L-FUCOPYRANOSYL)-11-HYDROXY-24-METHYLENE-9,11-SECOCHOLEST-5-EN-9-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O8 |
| InChI | InChI=1S/C36H58O8/c1-20(2)21(3)9-10-22(4)28-13-14-29(36(28,8)17-18-37)27-12-11-25-19-26(15-16-35(25,7)33(27)41)44-34-31(40)30(39)32(23(5)42-34)43-24(6)38/h11,20,22-23,26-32,34,37,39-40H,3,9-10,12-19H2,1-2,4-8H3/t22-,23-,26+,27+,28-,29+,30+,31+,32-,34+,35+,36-/m1/s1 |
| InChIKey | CIHGETLJKNFXQD-ISVOANGYSA-N |
| Literature Reference Author | P.SUN,L.Y.MENG,H.TANG,B.S.LIU,L.LI,Y.YI,W.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,75,1656(2012) |
| Literature Reference DOI | 10.1021/np300475d |
| Molecular Weight | 618.852 g/mol |
| Sample ID | 41480 |
| Solvent | CDCl3 |