Spektraris NMR
19-Carboxy-11,12,16-trihydroxyabieta-8,11,13-triene
Common Name: 19-Carboxy-11,12,16-trihydroxyabieta-8,11,13-triene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-11(10-21)13-9-12-5-6-14-19(2,15(12)17(23)16(13)22)7-4-8-20(14,3)18(24)25/h9,11,14,21-23H,4-8,10H2,1-3H3,(H,24,25)/t11-,14-,19+,20+/m1/s1
InChIKey: InChIKey=DKUQYUNOBJXRAM-QCJGVTPJSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, S., Zhu, H., Zhang, S., Zhang, X., Yu, Q., Xuan, L. J Nat Prod (2008) 71, 755-9
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) | 37.1 |
| 2 (CH2) | 20.9 |
| 3 (CH2) | 38.8 |
| 4 (C) | 44.4 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 22.5 |
| 7 (CH2) | 34.2 |
| 8 (C) | 129.4 |
| 9 (C) | 132.9 |
| 10 (C) | 40.7 |
| 11 (C) | 146.6 |
| 12 (C) | 142.2 |
| 13 (C) | 130.6 |
| 14 (CH) | 119.3 |
| 15 (CH) | 38.2 |
| 16 (CH3) | 16.9 |
| 17 (CH2) | 68.6 |
| 18 (CH3) | 29.8 |
| 19 (C) | 180.5 |
| 20 (CH3) | 18.1 |
