| SpectraBase Compound ID | H0cvLoTa5ef |
|---|---|
| InChI | InChI=1S/C35H56O8/c1-17(2)18(3)8-9-22(32(40)41)25-13-12-24-21-10-11-23-19(4)31(43-33-30(39)29(38)28(37)20(5)42-33)27(36)16-35(23,7)26(21)14-15-34(24,25)6/h10,17,19-20,22-31,33,36-39H,3,8-9,11-16H2,1-2,4-7H3,(H,40,41)/t19-,20-,22?,23-,24-,25+,26-,27+,28-,29+,30-,31+,33-,34-,35-/m0/s1 |
| InChIKey | BFCFMIFGAHEHCB-BMHJAXNCSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C35H56O8 |
| Exact Mass | 604.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72DD19GITiX |
|---|---|
| Name | FRUTICOSIDE_C;4-ALPHA-METHYL-2-ALPHA-HYDROXY-5-ALPHA-ERGOST-7,24-(28)-DIEN-21-OIC_ACID_3-BETA-O-ALPHA-L-QUINOVOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O8 |
| InChI | InChI=1S/C35H56O8/c1-17(2)18(3)8-9-22(32(40)41)25-13-12-24-21-10-11-23-19(4)31(43-33-30(39)29(38)28(37)20(5)42-33)27(36)16-35(23,7)26(21)14-15-34(24,25)6/h10,17,19-20,22-31,33,36-39H,3,8-9,11-16H2,1-2,4-7H3,(H,40,41)/t19-,20-,22?,23-,24-,25+,26-,27+,28-,29+,30-,31+,33-,34-,35-/m0/s1 |
| InChIKey | BFCFMIFGAHEHCB-BMHJAXNCSA-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 | 604.825 g/mol |
| Sample ID | 38209 |
| Solvent | DMSO-D6 |