| SpectraBase Compound ID | 2fsOfCF9eIK |
|---|---|
| InChI | InChI=1S/C37H48O18/c1-18-29(45)30(46)31(47)36(52-18)55-34-32(48)35(50-13-10-20-3-6-23(40)25(42)15-20)53-26(17-51-28(44)16-37(49)11-8-21(38)9-12-37)33(34)54-27(43)7-4-19-2-5-22(39)24(41)14-19/h2-7,14-15,18,21,26,29-36,38-42,45-49H,8-13,16-17H2,1H3/b7-4+/t18-,21-,26-,29-,30+,31+,32-,33-,34-,35-,36-,37+/m0/s1 |
| InChIKey | DPVXAVLHDIAHDO-LESBWWJLSA-N |
| Mol Weight | 780.8 g/mol |
| Molecular Formula | C37H48O18 |
| Exact Mass | 780.284065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Gh7Sytk6guZ |
|---|---|
| Name | 6'-O-(CIS-1,4-DIHYDROXYCYCLOHEXANACETYL)-ACTEOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H48O18 |
| InChI | InChI=1S/C37H48O18/c1-18-29(45)30(46)31(47)36(52-18)55-34-32(48)35(50-13-10-20-3-6-23(40)25(42)15-20)53-26(17-51-28(44)16-37(49)11-8-21(38)9-12-37)33(34)54-27(43)7-4-19-2-5-22(39)24(41)14-19/h2-7,14-15,18,21,26,29-36,38-42,45-49H,8-13,16-17H2,1H3/b7-4+/t18-,21-,26-,29-,30+,31+,32-,33-,34-,35-,36-,37+/m0/s1 |
| InChIKey | DPVXAVLHDIAHDO-LESBWWJLSA-N |
| Literature Reference Author | F.MARTIN,A.E.HAY,V.R.Q.CONDORETTY,D.CRESSEND,M.REIST,M.P.GUP TA,P.A.CARRUPT,K.HOS |
| Literature Reference Citation | J.NAT.PROD.,72,852(2009) |
| Literature Reference DOI | 10.1021/np900038j |
| Molecular Weight | 780.777 g/mol |
| Sample ID | 32535 |
| Solvent | CD3OD |