Spektraris NMR
Porwenin B
Common Name: Porwenin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O9/c1-15-7-11-26(24(33)35-23-22(32)21(31)20(30)18(14-29)34-23)16(2)5-4-6-19(26)25(15,3)10-8-17(13-28)9-12-27/h9,15,18-23,27-32H,2,4-8,10-14H2,1,3H3/b17-9-/t15-,18-,19-,20-,21+,22-,23+,25+,26-/m1/s1
InChIKey: InChIKey=BUPXBDSZSIVFMU-VCRJQRCTSA-N
Formula: C26H42O9
Molecular Weight: 498.607289
Exact Mass: 498.282883
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) | 22.5 |
| 2 (CH2) | 29.6 |
| 3 (CH2) | 34 |
| 4 (C) | 152.6 |
| 5 (C) | 52.9 |
| 6 (CH2) | 35.6 |
| 7 (CH2) | 29.1 |
| 8 (CH) | 38.2 |
| 9 (C) | 41 |
| 10 (CH) | 53.2 |
| 11 (CH2) | 37.6 |
| 12 (CH2) | 28.4 |
| 13 (C) | 143.6 |
| 14 (CH) | 127.3 |
| 15 (CH2) | 58.8 |
| 16 (CH2) | 60.2 |
| 17 (CH3) | 16.3 |
| 18 (CH2) | 110.3 |
| 19 (C) | 174.1 |
| 20 (CH3) | 18.6 |
| 1' (CH) | 95.6 |
| 2' (CH) | 74.2 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 62.3 |
