Spektraris NMR
Zahavins B
Common Name: Zahavins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-14(2)23(32-17(5)27)12-24(33-18(6)28)21-13-31-26(34-19(7)29)25-16(4)22(30)11-9-15(3)8-10-20(21)25/h9,13,20,22-26,30H,1,4,8,10-12H2,2-3,5-7H3/b15-9+/t20-,22-,23?,24?,25+,26-/m1/s1
InChIKey: InChIKey=LPJHIUFOAPXTGH-YEKSDJGKSA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
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) | 152.3 |
| 2 (CH) | 42.9 |
| 3 (CH) | 37.7 |
| 4 (CH2) | 29.6 |
| 5 (CH2) | 40.6 |
| 6 (C) | 137.3 |
| 7 (CH) | 121.2 |
| 8 (CH2) | 35.2 |
| 9 (CH) | 76.2 |
| 10 (C) | 117.1 |
| 11 (CH) | 68.9 |
| 12 (CH2) | 38.6 |
| 13 (CH) | 73.2 |
| 14 (C) | 142.9 |
| 15 (CH3) | 18.3 |
| 16 (CH2) | 112.8 |
| 17 (CH) | 137 |
| 18 (CH) | 92.8 |
| 19 (CH2) | 113.4 |
| 20 (CH3) | 17.2 |
| 11a (C) | 169.8 |
| 11b (CH3) | 21 |
| 13a (C) | 169 |
| 13b (CH3) | 21 |
| 18a (C) | 170 |
| 18b (CH3) | 21 |
