Spektraris NMR
Crotozambefuran A
Common Name: Crotozambefuran A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-13-7-9-21(19(24)27-3)15(18(23)26-2)5-4-6-17(21)22(13)11-16(29-20(22)25)14-8-10-28-12-14/h4-6,8,10,12-13,16-17H,7,9,11H2,1-3H3/t13-,16+,17+,21-,22-/m1/s1
InChIKey: InChIKey=XPPYVZZOGZYFJV-GODJMGFJSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ngadjui, B.T., Abegaz, B.M., Keumedjio, F., Folefoc, G.N., Kapche, G.W. Phytochemistry (2002) 60, 345-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 133.1 |
| 2 (CH) | 125.4 |
| 3 (CH) | 135.6 |
| 4 (C) | 136.1 |
| 5 (C) | 47.5 |
| 6 (CH2) | 31.8 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 42.3 |
| 9 (C) | 50.4 |
| 10 (CH) | 49.6 |
| 11 (CH2) | 41.4 |
| 12 (CH) | 73 |
| 13 (C) | 126 |
| 14 (CH) | 108.2 |
| 15 (CH) | 144.7 |
| 16 (CH) | 140.1 |
| 17 (CH3) | 16.5 |
| 18 (C) | 166.9 |
| 19 (C) | 172.5 |
| 20 (C) | 177.8 |
| 18a (CH3) | 51.2 |
| 19a (CH3) | 51.1 |
