Spektraris NMR
(13R) - ent - 18 - Acetoxy - 3b - hydroxy - 6 - oxo - 8a13; 14c,15-diepoxylabdane
Common Name: (13R) - ent - 18 - Acetoxy - 3b - hydroxy - 6 - oxo - 8a13; 14c,15-diepoxylabdane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-13(23)27-12-20(3)16(25)7-8-19(2)15-6-9-21(4,17-11-26-17)28-22(15,5)10-14(24)18(19)20/h15-18,25H,6-12H2,1-5H3/t15-,16+,17?,18-,19-,20-,21+,22-/m0/s1
InChIKey: InChIKey=IRBRZODBZXRSPS-XZHFEVPNSA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Gutierrez, J.J., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1997) 45, 283-91
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) | 38 |
| 2 (CH2) | 25.5 |
| 3 (CH) | 71 |
| 4 (C) | 40.8 |
| 5 (CH) | 58.9 |
| 6 (C) | 207.5 |
| 7 (CH2) | 59.6 |
| 8 (C) | 77.1 |
| 9 (CH) | 57.5 |
| 10 (C) | 39.9 |
| 11 (CH2) | 17.2 |
| 12 (CH2) | 30.6 |
| 13 (C) | 72.4 |
| 14 (CH) | 57.1 |
| 15 (CH2) | 47.5 |
| 16 (CH3) | 29 |
| 17 (CH3) | 24.4 |
| 18 (CH2) | 66.2 |
| 19 (CH3) | 12 |
| 20 (CH3) | 17.1 |
| 18a (C) | 171.8 |
| 18b (CH3) | 21 |
