| SpectraBase Compound ID | FXR2YS1pf7z |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-14(28)32-19-13-17-25(4)10-7-9-24(2,3)16(25)8-11-26(17,5)18-12-15(29)20-21(27(18,19)6)23(31)33-22(20)30/h15-19,23,29,31H,7-13H2,1-6H3/t15-,16?,17?,18?,19+,23-,25+,26-,27-/m1/s1 |
| InChIKey | RGURHVHMFJDSOE-DLRLTCNISA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GVV1dfA15w |
|---|---|
| Name | 12-ALPHA-O-ACETYLHYRTIOLIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-14(28)32-19-13-17-25(4)10-7-9-24(2,3)16(25)8-11-26(17,5)18-12-15(29)20-21(27(18,19)6)23(31)33-22(20)30/h15-19,23,29,31H,7-13H2,1-6H3/t15-,16?,17?,18?,19+,23-,25+,26-,27-/m1/s1 |
| InChIKey | RGURHVHMFJDSOE-DLRLTCNISA-N |
| Literature Reference Author | Y.QIU,T.DENG,Y.PEI,H.FU,J.LI,P.PROKSCH,W.LIN |
| Literature Reference Citation | J.NAT.PROD.,67,921(2004) |
| Literature Reference DOI | 10.1021/np030457x |
| Molecular Weight | 460.611 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ5632 |