| SpectraBase Compound ID | 7gcbcUDvvBH |
|---|---|
| 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-PHTRSYNFSA-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 | E3lcuw8wc2h |
|---|---|
| Name | Di-O-acetyl-calactin, (2.alpha.,3.beta.-R,5.alpha.-H) |
| CAS Registry Number | 70319-77-6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. 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-PHTRSYNFSA-N |
| Literature Reference | Helv. Chim. Acta 62, 412 (1979). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |