| SpectraBase Compound ID | JiTDHPet0Bx |
|---|---|
| InChI | InChI=1S/C28H40O11/c1-14-18(37-15(2)30)12-28(4)17(25(35)39-26-23(33)22(32)21(31)19(13-29)38-26)6-5-7-20(28)27(14,3)10-8-16-9-11-36-24(16)34/h6,9,14,18-23,26,29,31-33H,5,7-8,10-13H2,1-4H3/t14-,18+,19+,20-,21+,22-,23+,26-,27+,28+/m1/s1 |
| InChIKey | OKGWXHRKXHZNQK-FMPJBGKMSA-N |
| Mol Weight | 552.6 g/mol |
| Molecular Formula | C28H40O11 |
| Exact Mass | 552.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fjfrdkq2JRi |
|---|---|
| Name | (5R*,7S*,8S*,9S*,10R*)-1'-BETA-D-GLUCOPYRANOSYL-7-ALPHA-ACETOXYCLERODA-3,13-DIEN-15,16-OLIDE-18-OATE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O11 |
| InChI | InChI=1S/C28H40O11/c1-14-18(37-15(2)30)12-28(4)17(25(35)39-26-23(33)22(32)21(31)19(13-29)38-26)6-5-7-20(28)27(14,3)10-8-16-9-11-36-24(16)34/h6,9,14,18-23,26,29,31-33H,5,7-8,10-13H2,1-4H3/t14-,18+,19+,20-,21+,22-,23+,26-,27+,28+/m1/s1 |
| InChIKey | OKGWXHRKXHZNQK-FMPJBGKMSA-N |
| Literature Reference Author | E.E.SIGSTAD,M.D.R.CUENCA,C.A.N.CATALAN,T.E.GEDRIS,W.HERZ |
| Literature Reference Citation | PHYTOCHEM.,50,835(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00462-2 |
| Molecular Weight | 552.619 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN1451 |