Spektraris NMR
2a-Hydroxyajuaarin V
Common Name: 2a-Hydroxyajuaarin V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-13-7-18(28-14(2)23)21(4)17(9-16(24)10-22(21)12-27-22)20(13,3)6-5-15-8-19(25)26-11-15/h8,13,16-18,24H,5-7,9-12H2,1-4H3/t13-,16-,17-,18+,20+,21+,22+/m1/s1
InChIKey: InChIKey=XQZXGCYFESACPZ-DNKCWYIRSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Flores, E., Hernandezortega, S., Toscano, R.A. Phytochemistry (1995) 38, 175-9
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 (CH2) | 30.5 |
| 2 (CH) | 68.8 |
| 3 (CH2) | 41.2 |
| 4 (C) | 64.4 |
| 5 (C) | 40.7 |
| 6 (CH) | 73.2 |
| 7 (CH2) | 32.8 |
| 8 (CH) | 34.6 |
| 9 (C) | 38.5 |
| 10 (CH) | 43.2 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 21.9 |
| 13 (C) | 170.5 |
| 14 (CH) | 115.4 |
| 15 (C) | 173.8 |
| 16 (CH2) | 73 |
| 17 (CH3) | 15.3 |
| 18 (CH2) | 51.9 |
| 19 (CH3) | 14.4 |
| 20 (CH3) | 17.6 |
| 6a (C) | 169.9 |
| 6b (CH3) | 21.9 |
