Spektraris NMR
ZINC95912696
Common Name: ZINC95912696
Synonyms: ZINC95912696
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16+,19+,20-/m1/s1
InChIKey: InChIKey=FHQSDRHZGCMBKG-GIYDNNGJSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Waridel, P., Wolfender, J.L., Lachavanne, J.B., Hostettmann, K. Phytochemistry (2003) 64, 1309-17
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 19.9 |
| 3 (CH2) | 37.9 |
| 4 (C) | 44.3 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.6 |
| 8 (C) | 147.4 |
| 9 (CH) | 55.7 |
| 10 (C) | 40.5 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 24.7 |
| 13 (C) | 134.9 |
| 14 (CH) | 143.8 |
| 15 (CH2) | 70.1 |
| 16 (C) | 174.3 |
| 17 (CH2) | 106.8 |
| 18 (CH3) | 29 |
| 19 (C) | 183.2 |
| 20 (CH3) | 12.8 |
