Spektraris NMR
Danshenol C
Common Name: Danshenol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12-,21+/m0/s1
InChIKey: InChIKey=WQYKPUPMMFGHQW-LAJNKCICSA-N
Formula: C21H20O4
Molecular Weight: 336.381889
Exact Mass: 336.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, G., Peng, L.Y., Lu, L., Weng, Z.Y., Zhao, Y., Li, X.L., Zhao, Q.S., Sun, H.D. Planta Med (2006) 72, 84-6
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 (CH) | 125.7 |
| 2 (CH) | 126.7 |
| 3 (CH) | 128.5 |
| 4 (C) | 135.2 |
| 5 (C) | 134.8 |
| 6 (CH) | 125.5 |
| 7 (CH) | 120 |
| 8 (C) | 120.4 |
| 9 (C) | 141.3 |
| 10 (C) | 131.1 |
| 11 (C) | 79.45 |
| 12 (C) | 196.1 |
| 13 (C) | 113.3 |
| 14 (C) | 171.5 |
| 15 (CH) | 34.8 |
| 16 (CH2) | 81.6 |
| 17 (CH3) | 19.4 |
| 18 (CH3) | 20.1 |
| 11a (CH2) | 57.2 |
| 11b (C) | 205.1 |
| 11c (CH3) | 31.9 |
