Spektraris NMR
Caesaldekarin I diAcetate
Common Name: Caesaldekarin I diAcetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O6/c1-14-17-7-10-28-19(17)11-18-21(14)20(30-16(3)26)12-24(27)22(4,13-29-15(2)25)8-6-9-23(18,24)5/h7,10,14,18,20-21,27H,6,8-9,11-13H2,1-5H3/t14-,18-,20-,21-,22+,23+,24+/m0/s1
InChIKey: InChIKey=VSTVRLSZDFNMTF-NAXWKDLMSA-N
Formula: C24H34O6
Molecular Weight: 418.524077
Exact Mass: 418.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lyder, D.L., Peter, S.R., Tinto, W.F., Bissada, S.M., McLean, S., Reynolds, W.F. J Nat Prod (1998) 61, 1462-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 32 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 30.5 |
| 4 (C) | 42.6 |
| 5 (C) | 77.3 |
| 6 (CH2) | 32.3 |
| 7 (CH) | 71.7 |
| 8 (CH) | 39.5 |
| 9 (CH) | 36.9 |
| 10 (C) | 40.9 |
| 11 (CH2) | 22.4 |
| 12 (C) | 149 |
| 13 (C) | 121.9 |
| 14 (CH) | 27.5 |
| 15 (CH) | 109.6 |
| 16 (CH) | 140.7 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 21 |
| 19 (CH2) | 67 |
| 20 (CH3) | 17.2 |
| 7a (C) | 170.7 |
| 7b (CH3) | 21.3 |
| 19a (C) | 171.1 |
| 19b (CH3) | 21.1 |
