| SpectraBase Compound ID | LqF8sbC9Twt |
|---|---|
| InChI | InChI=1S/C37H46O18/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/h2-7,14-15,18,26,29-36,39-42,45-49H,8-13,16-17H2,1H3/b7-4+/t18-,26-,29-,30+,31+,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | PMMYCTDNPFFVSX-CMRFZQIESA-N |
| Mol Weight | 778.8 g/mol |
| Molecular Formula | C37H46O18 |
| Exact Mass | 778.268415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyehnfGuliw |
|---|---|
| Name | 6'-O-(1-HYDROXY-4-OXO-CYCLOHEXANACETYL)-ACTEOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46O18 |
| InChI | InChI=1S/C37H46O18/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/h2-7,14-15,18,26,29-36,39-42,45-49H,8-13,16-17H2,1H3/b7-4+/t18-,26-,29-,30+,31+,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | PMMYCTDNPFFVSX-CMRFZQIESA-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 | 778.761 g/mol |
| Sample ID | 32536 |
| Solvent | CD3OD |