| SpectraBase Compound ID | BTCnMAvYOOb |
|---|---|
| InChI | InChI=1S/C33H44O12/c1-16-9-26(43-18(3)36)33(39)29(41-16)44-23-11-20-5-6-22-21(31(20,15-34)12-24(23)45-33)7-8-30(4)28(19-10-27(37)40-14-19)25(42-17(2)35)13-32(22,30)38/h10,15-16,20-26,28-29,38-39H,5-9,11-14H2,1-4H3/t16?,20-,21+,22+,23?,24?,25?,26?,28?,29?,30+,31-,32-,33?/m1/s1 |
| InChIKey | WDMVIHZXOHPIHJ-QFBUDPDBSA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C33H44O12 |
| Exact Mass | 632.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EOPZgsdUkt4 |
|---|---|
| Name | Calactin-16.alpha.-acetate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H44O12 |
| InChI | InChI=1S/C33H44O12/c1-16-9-26(43-18(3)36)33(39)29(41-16)44-23-11-20-5-6-22-21(31(20,15-34)12-24(23)45-33)7-8-30(4)28(19-10-27(37)40-14-19)25(42-17(2)35)13-32(22,30)38/h10,15-16,20-26,28-29,38-39H,5-9,11-14H2,1-4H3/t16?,20-,21+,22+,23?,24?,25?,26?,28?,29?,30+,31-,32-,33?/m1/s1 |
| InChIKey | WDMVIHZXOHPIHJ-QFBUDPDBSA-N |
| Literature Reference | Phytochem. 25, 2581 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |