Spektraris NMR
ent-18-Acetoxy-11b-hydroxy-6-oxomanoyl oxide
Common Name: ent-18-Acetoxy-11b-hydroxy-6-oxomanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-7-20(4)11-15(24)18-21(5)10-8-9-19(3,13-26-14(2)23)17(21)16(25)12-22(18,6)27-20/h7,15,17-18,24H,1,8-13H2,2-6H3/t15-,17-,18+,19-,20-,21-,22+/m1/s1
InChIKey: InChIKey=GDNQRAXZQJYORA-QGSRRFEGSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
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) | 38.7 |
| 2 (CH2) | 17.4 |
| 3 (CH2) | 36.1 |
| 4 (C) | 35.8 |
| 5 (CH) | 61.5 |
| 6 (C) | 208.5 |
| 7 (CH2) | 61.3 |
| 8 (C) | 76.9 |
| 9 (CH) | 56.9 |
| 10 (C) | 40.5 |
| 11 (CH) | 65.1 |
| 12 (CH2) | 44.4 |
| 13 (C) | 73.3 |
| 14 (CH) | 147.4 |
| 15 (CH2) | 110.8 |
| 16 (CH3) | 29.3 |
| 17 (CH3) | 28.1 |
| 18 (CH2) | 72 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 18.7 |
| 18a (C) | 171 |
| 18b (CH3) | 21 |
