| SpectraBase Compound ID | 5lrB2hVVkJd |
|---|---|
| InChI | InChI=1S/C33H44O11/c1-17-11-27(41-18(2)35)33(43-19(3)36)29(40-17)42-25-13-21-5-6-24-23(31(21,16-34)14-26(25)44-33)7-9-30(4)22(8-10-32(24,30)38)20-12-28(37)39-15-20/h12,16-17,21-27,29,38H,5-11,13-15H2,1-4H3/t17-,21+,22-,23+,24-,25-,26-,27-,29+,30-,31-,32+,33+/m1/s1 |
| InChIKey | LIJNFRWJSRWARL-ZVGNTUTESA-N |
| Mol Weight | 616.7 g/mol |
| Molecular Formula | C33H44O11 |
| Exact Mass | 616.288362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hefF4XXtzK |
|---|---|
| Name | DI-O-ACETYL-CALACTIN,(2-ALPHA,3-BETA-R,5-ALPHA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H44O11 |
| InChI | InChI=1S/C33H44O11/c1-17-11-27(41-18(2)35)33(43-19(3)36)29(40-17)42-25-13-21-5-6-24-23(31(21,16-34)14-26(25)44-33)7-9-30(4)22(8-10-32(24,30)38)20-12-28(37)39-15-20/h12,16-17,21-27,29,38H,5-11,13-15H2,1-4H3/t17-,21+,22-,23+,24-,25-,26-,27-,29+,30-,31-,32+,33+/m1/s1 |
| InChIKey | LIJNFRWJSRWARL-ZVGNTUTESA-N |
| Literature Reference Author | P.BROWN,J.VON_EUW,T.REICHSTEIN,K.STOECKEL,T.R.WATSON |
| Literature Reference Citation | HELV.CHIM.ACTA,62,412(1979) |
| Literature Reference DOI | 10.1002/hlca.19790620207 |
| Molecular Weight | 616.706 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW8558 |