Spektraris NMR
(12R,13S,14S,15R)-14,16-Epoxy-12a-hydroxy-12b,14b-(2-oxopropan-1,3-diyl)-20-nor-abieta-5(10),6,8-tri
Common Name: (12R,13S,14S,15R)-14,16-Epoxy-12a-hydroxy-12b,14b-(2-oxopropan-1,3-diyl)-20-nor-abieta-5(10),6,8-tri
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O4/c1-12-11-26-22-10-13(23)9-21(25,18(12)22)19(24)17-14-5-4-8-20(2,3)15(14)6-7-16(17)22/h6-7,12,18,25H,4-5,8-11H2,1-3H3/t12-,18-,21+,22+/m0/s1
InChIKey: InChIKey=TXXYUPRCVXVTMO-CSZBGDNUSA-N
Formula: C22H26O4
Molecular Weight: 354.440269
Exact Mass: 354.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Rodriguez, B. J Nat Prod (2005) 68, 1408-11
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 38 |
| 4 (C) | 34.2 |
| 5 (C) | 147.6 |
| 6 (CH) | 134.7 |
| 7 (CH) | 124.2 |
| 8 (C) | 145 |
| 9 (C) | 124.9 |
| 10 (C) | 140.2 |
| 11 (C) | 199.4 |
| 12 (C) | 76.1 |
| 13 (CH) | 61.6 |
| 14 (C) | 82.3 |
| 15 (CH) | 34.4 |
| 16 (CH2) | 75.2 |
| 17 (CH3) | 18.6 |
| 18 (CH3) | 31.87 |
| 19 (CH3) | 31.85 |
| 20 (CH2) | 52.6 |
| 21 (C) | 204.5 |
| 23 (CH2) | 54.8 |
