Spektraris NMR
Zahavins A
Common Name: Zahavins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O7/c1-15(2)23(31-18(5)27)13-24(32-19(6)28)22-14-30-26(33-20(7)29)25-17(4)10-8-9-16(3)11-12-21(22)25/h9,14,21,23-26H,1,4,8,10-13H2,2-3,5-7H3/b16-9+/t21-,23?,24?,25+,26-/m1/s1
InChIKey: InChIKey=YHVXAZWWUIIDJA-NMOJJFKUSA-N
Formula: C26H36O7
Molecular Weight: 460.560835
Exact Mass: 460.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Ketzinel, S., Goldberg, I., Stein, Z., Kashman, Y., Benayahu, Y., Schleyer, M. J Nat Prod (1995) 58, 1581-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 150 |
| 2 (CH) | 49.5 |
| 3 (CH) | 37.5 |
| 4 (CH2) | 30.1 |
| 5 (CH2) | 40.2 |
| 6 (C) | 135.6 |
| 7 (CH) | 124.5 |
| 8 (CH2) | 25.2 |
| 9 (CH2) | 35.4 |
| 10 (C) | 117.2 |
| 11 (CH) | 68.9 |
| 12 (CH2) | 38.5 |
| 13 (CH) | 73.2 |
| 14 (C) | 142.9 |
| 15 (CH3) | 18.3 |
| 16 (CH2) | 112.7 |
| 17 (CH) | 137 |
| 18 (CH) | 92 |
| 19 (CH2) | 113.4 |
| 20 (CH3) | 16.8 |
| 11a (C) | 169.8 |
| 11b (CH3) | 21 |
| 13a (C) | 169.7 |
| 13b (CH3) | 21 |
| 18a (C) | 170.1 |
| 18b (CH3) | 21 |
