Spektraris NMR
(13S)-8,19-Dihydroxypimar-15-en-3-one
Common Name: (13S)-8,19-Dihydroxypimar-15-en-3-one
Synonyms: (13S)-8,19-Dihydroxypimar-15-en-3-one
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-5-17(2)9-6-15-18(3)10-8-16(22)19(4,13-21)14(18)7-11-20(15,23)12-17/h5,14-15,21,23H,1,6-13H2,2-4H3/t14-,15-,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=CCCCFLLMPJQTTQ-GVLXGFFOSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Takaishi, Y., Miyagi, K., Kawazoe, K., Nakano, K., Li, K.H., Duan, H.Q. Phytochemistry (1997) 45, 975-8
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) | 37.8 |
| 2 (CH2) | 34.3 |
| 3 (C) | 220.8 |
| 4 (C) | 50.9 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 42.9 |
| 8 (C) | 71.9 |
| 9 (CH) | 55.5 |
| 10 (C) | 36.4 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 38 |
| 13 (C) | 36.6 |
| 14 (CH2) | 51.5 |
| 15 (CH) | 151.1 |
| 16 (CH2) | 108.9 |
| 17 (CH3) | 24.3 |
| 18 (CH3) | 22.2 |
| 19 (CH2) | 65.8 |
| 20 (CH3) | 16.4 |
