| SpectraBase Compound ID | 17Gw9Qm0BYp |
|---|---|
| InChI | InChI=1S/C36H58O6S/c1-8-22(19(2)3)9-10-24(33(40)43)27-14-13-26-23-11-12-25-20(4)29(42-34-32(39)31(38)30(37)21(5)41-34)16-18-35(25,6)28(23)15-17-36(26,27)7/h8,11,19-21,24-32,34,37-39H,9-10,12-18H2,1-7H3,(H,40,43)/b22-8-/t20-,21-,24?,25-,26-,27+,28-,29-,30-,31+,32-,34-,35-,36-/m0/s1 |
| InChIKey | AUQOSBIEPMUBCQ-HSQKFSQZSA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C36H58O6S |
| Exact Mass | 618.395411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SDZs7ErXQ3 |
|---|---|
| Name | FRUTICOSIDE_G;4-ALPHA-METHYL-STIGMAST-7,24-(28)-DIENE-21-CARBOTHIOIC_ACID-3-BETA-O-ALPHA-L-QUINOVOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O6S |
| InChI | InChI=1S/C36H58O6S/c1-8-22(19(2)3)9-10-24(33(40)43)27-14-13-26-23-11-12-25-20(4)29(42-34-32(39)31(38)30(37)21(5)41-34)16-18-35(25,6)28(23)15-17-36(26,27)7/h8,11,19-21,24-32,34,37-39H,9-10,12-18H2,1-7H3,(H,40,43)/b22-8-/t20-,21-,24?,25-,26-,27+,28-,29-,30-,31+,32-,34-,35-,36-/m0/s1 |
| InChIKey | AUQOSBIEPMUBCQ-HSQKFSQZSA-N |
| Literature Reference Author | Y.P.LIU,X.H.CAI,T.FENG,Y.LI,X.N.LI,X.D.LUO |
| Literature Reference Citation | J.NAT.PROD.,74,1161(2011) |
| Literature Reference DOI | 10.1021/np2000914 |
| Molecular Weight | 618.913 g/mol |
| Sample ID | 38213 |
| Solvent | CDCl3:CD3OD |