Spektraris NMR
(5beta,9beta,10alpha)-7beta,12beta-Dihydroxyabieta-8(14),13(15)-diene-16-oic acid 16,12-lactone
Common Name: (5beta,9beta,10alpha)-7beta,12beta-Dihydroxyabieta-8(14),13(15)-diene-16-oic acid 16,12-lactone
Synonyms: (5beta,9beta,10alpha)-7beta,12beta-Dihydroxyabieta-8(14),13(15)-diene-16-oic acid 16,12-lactone
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11-12-8-13-14(9-16(12)23-18(11)22)20(4)7-5-6-19(2,3)17(20)10-15(13)21/h8,14-17,21H,5-7,9-10H2,1-4H3/t14-,15+,16-,17-,20+/m1/s1
InChIKey: InChIKey=ZMYSFBRHMUTOQN-JZBZHOAESA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yan, R.Y., Tan, Y.X., Cui, X.Q., Chen, R.Y., Yu, D.Q. J Nat Prod (2008) 71, 195-8
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) | 41.9 |
| 2 (CH2) | 19 |
| 3 (CH2) | 39.5 |
| 4 (C) | 33.1 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 31 |
| 7 (CH) | 72.4 |
| 8 (C) | 151.2 |
| 9 (CH) | 46.7 |
| 10 (C) | 41.9 |
| 11 (CH2) | 27.2 |
| 12 (CH) | 76.1 |
| 13 (C) | 155.1 |
| 14 (CH) | 115.9 |
| 15 (C) | 118.9 |
| 16 (C) | 174.9 |
| 17 (CH3) | 8.5 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 16.1 |
