Spektraris NMR
Ent-18-Acetoxy-8(14)-pimarane-15S,16-diol
Common Name: Ent-18-Acetoxy-8(14)-pimarane-15S,16-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-15(24)26-14-21(3)9-5-10-22(4)17-8-11-20(2,19(25)13-23)12-16(17)6-7-18(21)22/h12,17-19,23,25H,5-11,13-14H2,1-4H3/t17-,18-,19+,20+,21-,22+/m1/s1
InChIKey: InChIKey=RNAJZYMCKHMPRN-OGVIVNNGSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Luo, X.D., Wu, S.H., Ma, Y.B., Wu, D.G. Phytochemistry (2001) 57, 131-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 38.8 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 35.5 |
| 4 (C) | 37.9 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 35.9 |
| 8 (C) | 139.7 |
| 9 (CH) | 51 |
| 10 (C) | 38 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 29.1 |
| 13 (C) | 36.6 |
| 14 (CH) | 127.3 |
| 15 (CH) | 79.4 |
| 16 (CH2) | 62.7 |
| 17 (CH3) | 22.9 |
| 18 (CH2) | 73 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 15.3 |
| 18a (C) | 171.2 |
| 18b (CH3) | 20.9 |
