Spektraris NMR
2b,16a-dihydroxy-ent-kaurane
Common Name: 2b,16a-dihydroxy-ent-kaurane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O7/c1-13-14-5-6-18-25(4)11-15(32-23-21(30)20(29)19(28)16(12-27)33-23)10-24(2,3)17(25)7-8-26(18,9-14)22(13)31/h14-23,27-31H,1,5-12H2,2-4H3/t14-,15-,16-,17-,18+,19-,20+,21-,22+,23-,25-,26-/m1/s1
InChIKey: InChIKey=VCAJWPCMGGZDIY-WXCPYXHDSA-N
Formula: C26H42O7
Molecular Weight: 466.608479
Exact Mass: 466.293054
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Matsunami, K., Otsuka, H. Biochem Syst Ecol (2009) 37, 133-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 48 |
| 2 (CH) | 72.2 |
| 3 (CH2) | 50 |
| 4 (C) | 34.5 |
| 5 (CH) | 56 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 36.7 |
| 8 (C) | 48 |
| 9 (CH) | 54.4 |
| 10 (C) | 41.3 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.1 |
| 13 (CH) | 41.9 |
| 14 (CH2) | 36.9 |
| 15 (CH) | 82.9 |
| 16 (C) | 160.9 |
| 17 (CH2) | 107.8 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 18.8 |
| 1' (CH) | 102.6 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 63 |
