Spektraris NMR
Porwenin A
Common Name: Porwenin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-14-7-11-20(18(23)24)15(2)5-4-6-17(20)19(14,3)10-8-16(13-22)9-12-21/h9,14,17,21-22H,2,4-8,10-13H2,1,3H3,(H,23,24)/b16-9-/t14-,17-,19+,20-/m1/s1
InChIKey: InChIKey=HVZFLMOCARQHTL-PBUBQFPOSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ohsaki, A., Ogawa, M., Imai, Y., Shinzato, T., Shigemori, H., Kobayashi, J. J Nat Prod (2001) 64, 804-5
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 (CH2) | 22.6 |
| 2 (CH2) | 29 |
| 3 (CH2) | 34.1 |
| 4 (C) | 153.6 |
| 5 (C) | 52.3 |
| 6 (CH2) | 36.1 |
| 7 (CH2) | 29.9 |
| 8 (CH) | 38.2 |
| 9 (C) | 40.9 |
| 10 (CH) | 52.6 |
| 11 (CH2) | 37.6 |
| 12 (CH2) | 28.3 |
| 13 (C) | 143.6 |
| 14 (CH) | 127.3 |
| 15 (CH2) | 58.8 |
| 16 (CH2) | 60.3 |
| 17 (CH3) | 16.3 |
| 18 (CH2) | 109.7 |
| 19 (C) | 178.1 |
| 20 (CH3) | 18 |
