| SpectraBase Compound ID | 8lCVGhELPm |
|---|---|
| InChI | InChI=1S/C27H34O11/c1-21-11-24(32)19-26(33)13(23(24,3)16(21)15(29)18(30)35-4)5-7-22(2)17(12-6-8-36-10-12)37-14(28)9-25(22,26)38-27(19,34)20(21)31/h6,8,10,13,15-17,19-20,29,31-34H,5,7,9,11H2,1-4H3/t13-,15-,16+,17+,19-,20+,21+,22+,23-,24+,25-,26+,27-/m1/s1 |
| InChIKey | VWLNATLMJXKQDH-ZDVGZKMZSA-N |
| Mol Weight | 534.6 g/mol |
| Molecular Formula | C27H34O11 |
| Exact Mass | 534.210112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXFAUvrWQML |
|---|---|
| Name | KHAYSENEGANIN_E;1-O-DEACETYL-2-ALPHA,3-BETA-DIHYDROXYLKHAYANOLIDE_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O11 |
| InChI | InChI=1S/C27H34O11/c1-21-11-24(32)19-26(33)13(23(24,3)16(21)15(29)18(30)35-4)5-7-22(2)17(12-6-8-36-10-12)37-14(28)9-25(22,26)38-27(19,34)20(21)31/h6,8,10,13,15-17,19-20,29,31-34H,5,7,9,11H2,1-4H3/t13-,15-,16+,17+,19-,20+,21+,22+,23-,24+,25-,26+,27-/m1/s1 |
| InChIKey | VWLNATLMJXKQDH-ZDVGZKMZSA-N |
| Literature Reference Author | C.M.YUAN,Y.ZHANG,G.H.TANG,Y.T.DI,M.M.CAO,X.Y.WANG,G.Y.ZUO,S. L.LI,H.M.HUA,H.P.HE, |
| Literature Reference Citation | J.NAT.PROD.,76,327(2013) |
| Literature Reference DOI | 10.1021/np3006919 |
| Molecular Weight | 534.560 g/mol |
| Sample ID | 42263 |
| Solvent | CD3OD |