Spektraris NMR
Borapetol B
Common Name: Borapetol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O7/c1-20-9-15(11-4-5-27-10-11)28-19(25)13(20)8-17(23)21(2)14(18(24)26-3)6-12(22)7-16(20)21/h4-6,10,12-13,15-17,22-23H,7-9H2,1-3H3/t12-,13+,15?,16-,17+,20+,21-/m0/s1
InChIKey: InChIKey=WMFCEJSQHFTWJN-BPZXYWNUSA-N
Formula: C21H26O7
Molecular Weight: 390.427748
Exact Mass: 390.167853
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Martin, T.S., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1996) 42, 153-8
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) | 29.6 |
| 2 (CH) | 63.7 |
| 3 (CH) | 140.8 |
| 4 (C) | 139.5 |
| 5 (C) | 41.7 |
| 6 (CH) | 67.9 |
| 7 (CH2) | 28.9 |
| 8 (CH) | 40.8 |
| 9 (C) | 37.7 |
| 10 (CH) | 50.3 |
| 11 (CH2) | 45.6 |
| 12 (CH) | 70.4 |
| 13 (C) | 125.7 |
| 14 (CH) | 109.6 |
| 15 (CH) | 144.2 |
| 16 (CH) | 140.5 |
| 17 (C) | 175.7 |
| 18 (C) | 168.8 |
| 19 (CH3) | 29.8 |
| 20 (CH3) | 23.6 |
| 18a (CH3) | 51.6 |
