Spektraris NMR
7β,8α-Dihydroxy-12-oxo-ent-abietan-16,14-olide
Common Name: 7β,8α-Dihydroxy-12-oxo-ent-abietan-16,14-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-10-15-11(21)8-13-19(4)7-5-6-18(2,3)12(19)9-14(22)20(13,24)16(15)25-17(10)23/h10,12-16,22,24H,5-9H2,1-4H3/t10-,12+,13-,14-,15+,16-,19+,20-/m0/s1
InChIKey: InChIKey=ZVUXDKNPHFTWRA-YIPYGXGYSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 39.2 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 41.7 |
| 4 (C) | 32.8 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 25.9 |
| 7 (CH) | 70.4 |
| 8 (C) | 72.5 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.9 |
| 11 (CH2) | 37.6 |
| 12 (C) | 204.6 |
| 13 (CH) | 54.5 |
| 14 (CH) | 81.5 |
| 15 (CH) | 36.4 |
| 16 (C) | 177.7 |
| 17 (CH3) | 13.5 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 14.5 |
