| SpectraBase Compound ID | 4WFMWCnr7oP |
|---|---|
| InChI | InChI=1S/C28H34O11/c1-22-12-25(33)20-27(34)14(24(25,3)17(22)16(30)19(31)35-4)6-8-23(2)18(13-7-9-37-11-13)38-15(29)10-26(23,27)39-28(20,36-5)21(22)32/h7,9,11,14,16-18,20,30,33-34H,6,8,10,12H2,1-5H3/t14-,16-,17+,18-,20-,22+,23+,24-,25+,26-,27+,28-/m1/s1 |
| InChIKey | YUEMXSDIQPYSPO-WMXJFMFRSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C28H34O11 |
| Exact Mass | 546.210112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29yOXHWSip3 |
|---|---|
| Name | KHAYSENEGANIN_G;1-O-DEACETYL-2-ALPHA-METHOXYKHAYANOLIDE_E |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34O11 |
| InChI | InChI=1S/C28H34O11/c1-22-12-25(33)20-27(34)14(24(25,3)17(22)16(30)19(31)35-4)6-8-23(2)18(13-7-9-37-11-13)38-15(29)10-26(23,27)39-28(20,36-5)21(22)32/h7,9,11,14,16-18,20,30,33-34H,6,8,10,12H2,1-5H3/t14-,16-,17+,18-,20-,22+,23+,24-,25+,26-,27+,28-/m1/s1 |
| InChIKey | YUEMXSDIQPYSPO-WMXJFMFRSA-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 | 546.571 g/mol |
| Sample ID | 42265 |
| Solvent | CD3OD |