Spektraris NMR
(5S,10R,13R)-3alpha,14beta-Dihydroxypimara-7,9(11),15-triene-12-one
Common Name: (5S,10R,13R)-3alpha,14beta-Dihydroxypimara-7,9(11),15-triene-12-one
Synonyms: (5S,10R,13R)-3alpha,14beta-Dihydroxypimara-7,9(11),15-triene-12-one
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-6-19(4)16(22)11-13-12(17(19)23)7-8-14-18(2,3)15(21)9-10-20(13,14)5/h6-7,11,14-15,17,21,23H,1,8-10H2,2-5H3/t14-,15-,17+,19+,20+/m1/s1
InChIKey: InChIKey=CXCMTMDJYUJDDT-VCNAKFCDSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Denton, R.W., Harding, W.W., Anderson, C.I., Jacobs, H., McLean, S., Reynolds, W.F. J Nat Prod (2001) 64, 829-31
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) | 34.4 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.3 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 24 |
| 7 (CH) | 131.7 |
| 8 (C) | 131 |
| 9 (C) | 164.2 |
| 10 (C) | 37.3 |
| 11 (CH) | 116.7 |
| 12 (C) | 202.2 |
| 13 (C) | 55.5 |
| 14 (CH) | 73.1 |
| 15 (CH) | 138.9 |
| 16 (CH2) | 117.9 |
| 17 (CH3) | 14 |
| 18 (CH3) | 27.4 |
| 19 (CH3) | 15.5 |
| 20 (CH3) | 20.7 |
