Spektraris NMR
7,8-Epoxyzahavin A
Common Name: 7,8-Epoxyzahavin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-14(2)21(31-16(4)27)12-22(32-17(5)28)20-13-30-25(33-18(6)29)24-15(3)8-9-23-26(7,34-23)11-10-19(20)24/h13,19,21-25H,1,3,8-12H2,2,4-7H3/t19-,21?,22?,23-,24+,25-,26+/m1/s1
InChIKey: InChIKey=SZTGVAKQVBJJHW-NURQKMBBSA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hooper, G.J., Davies-Coleman, M.T., Schleyer, M. J Nat Prod (1997) 60, 889-93
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) | 148 |
| 2 (CH) | 47.9 |
| 3 (CH) | 37.1 |
| 4 (CH2) | 29.2 |
| 5 (CH2) | 39.5 |
| 6 (C) | 59.8 |
| 7 (CH) | 62.8 |
| 8 (CH2) | 24.7 |
| 9 (CH2) | 32.1 |
| 10 (C) | 116.9 |
| 11 (CH) | 68.6 |
| 12 (CH2) | 38.9 |
| 13 (CH) | 73.1 |
| 14 (C) | 142.8 |
| 15 (CH3) | 18.3 |
| 16 (CH2) | 112.8 |
| 17 (CH) | 137.5 |
| 18 (CH) | 91.6 |
| 19 (CH2) | 115.2 |
| 20 (CH3) | 16.9 |
| 11a (C) | 169.5 |
| 11b (CH3) | 21 |
| 13a (C) | 169.8 |
| 13b (CH3) | 21 |
| 18a (C) | 170 |
| 18b (CH3) | 21 |
