Spektraris NMR
ent- 11b, 18-Dihydroxy-6-oxomanoyl oxide
Common Name: ent- 11b, 18-Dihydroxy-6-oxomanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-6-18(3)10-13(22)16-19(4)9-7-8-17(2,12-21)15(19)14(23)11-20(16,5)24-18/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t13-,15-,16+,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=NPJNHUYSJIKHJQ-PBQUBUBMSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
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) | 38.8 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 36.1 |
| 4 (C) | 37.1 |
| 5 (CH) | 62.2 |
| 6 (C) | 210.3 |
| 7 (CH2) | 61.4 |
| 8 (C) | 76.9 |
| 9 (CH) | 56.5 |
| 10 (C) | 40.5 |
| 11 (CH) | 65.2 |
| 12 (CH2) | 44.3 |
| 13 (C) | 73.3 |
| 14 (CH) | 147.3 |
| 15 (CH2) | 111 |
| 16 (CH3) | 29.5 |
| 17 (CH3) | 28.3 |
| 18 (CH2) | 72.1 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 18.8 |
