Spektraris NMR
7alpha,9alpha,11alpha-Trihydroxyabiet-8(14)-en-18-oic acid
Common Name: 7alpha,9alpha,11alpha-Trihydroxyabiet-8(14)-en-18-oic acid
Synonyms: 7alpha,9alpha,11alpha-Trihydroxyabiet-8(14)-en-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-11(2)12-8-13-14(21)10-15-18(3,17(23)24)6-5-7-19(15,4)20(13,25)16(22)9-12/h8,11-12,14-16,21-22,25H,5-7,9-10H2,1-4H3,(H,23,24)/t12-,14-,15+,16-,18-,19+,20+/m1/s1
InChIKey: InChIKey=LZYHFJPEGUWYFK-OFBXBTIBSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - De Carvalho, M.G., Rumjanek, V.M., Lopes, M.D.S., De Carvalho, A.G. Phytochemistry (1998) 49, 1101-5
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) | 38.6 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 37.8 |
| 4 (C) | 45.9 |
| 5 (CH) | 41.9 |
| 6 (CH2) | 24.9 |
| 7 (CH) | 69.2 |
| 8 (C) | 142 |
| 9 (C) | 70.4 |
| 10 (C) | 37.3 |
| 11 (CH) | 71 |
| 12 (CH2) | 38.6 |
| 13 (CH) | 41.9 |
| 14 (CH) | 126.3 |
| 15 (CH) | 31.9 |
| 16 (CH3) | 16.1 |
| 17 (CH3) | 16.3 |
| 18 (C) | 179.3 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 14.1 |
