Spektraris NMR
(13S)-Pimar-15-ene-3beta,7beta,8-triol 3-acetate
Common Name: (13S)-Pimar-15-ene-3beta,7beta,8-triol 3-acetate
Synonyms: (13S)-Pimar-15-ene-3beta,7beta,8-triol 3-acetate
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-7-20(5)10-8-15-21(6)11-9-18(26-14(2)23)19(3,4)16(21)12-17(24)22(15,25)13-20/h7,15-18,24-25H,1,8-13H2,2-6H3/t15-,16+,17+,18+,20+,21-,22-/m1/s1
InChIKey: InChIKey=FLHYTFPYHKBLFB-GJLUKNDPSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Labbe, C., Castillo, M., Fainia, F., Coll, J., Connolly, J.D. Phytochemistry (1994) 35, 735-8
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) | 37.6 |
| 2 (CH2) | 23.4 |
| 3 (CH) | 81 |
| 4 (C) | 38.9 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 27.2 |
| 7 (CH) | 78.8 |
| 8 (C) | 73.4 |
| 9 (CH) | 55.6 |
| 10 (C) | 36.9 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 37.8 |
| 13 (C) | 36.1 |
| 14 (CH2) | 47.4 |
| 15 (CH) | 151.1 |
| 16 (CH2) | 109 |
| 17 (CH3) | 24.1 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 15.6 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.1 |
