Spektraris NMR
Zafaral
Common Name: Zafaral
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O6/c1-9-17(15-30)22-18(32)14-20-27(22,5)12-10-19-28(6)13-11-21(33)26(3,4)24(28)23(34-8)25(29(19,20)7)35-16(2)31/h11,13-15,17,19,22-25H,9-10,12H2,1-8H3/t17?,19-,22-,23-,24+,25-,27-,28-,29-/m1/s1
InChIKey: InChIKey=YNXQXJIXLIRWJC-SJNRRAQHSA-N
Formula: C29H40O6
Molecular Weight: 484.625401
Exact Mass: 484.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Afshan, F., Gulzar, T., Hanif, M. Phytochemistry (2004) 65, 2363-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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 (CH) | 157 |
| 2 (CH) | 126.5 |
| 3 (C) | 204 |
| 4 (C) | 43.8 |
| 5 (CH) | 48.5 |
| 6 (CH) | 67.5 |
| 7 (CH) | 82 |
| 8 (C) | 45.4 |
| 9 (CH) | 38.5 |
| 10 (C) | 42 |
| 11 (CH2) | 16.5 |
| 12 (CH2) | 32.8 |
| 13 (C) | 59.5 |
| 14 (C) | 193.5 |
| 15 (CH) | 123.9 |
| 16 (C) | 208 |
| 17 (CH) | 56.5 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 16 |
| 20 (CH) | 143.6 |
| 21 (CH) | 203 |
| 22 (CH2) | 32 |
| 23 (CH3) | 22 |
| 28 (CH3) | 24.9 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 25.7 |
| 6a (CH3) | 53.1 |
| 7a (C) | 169 |
| 7b (CH3) | 19.8 |
