Spektraris NMR
ent-3b,16,18- Trihydroxy-6-oxomanoyl oxide
Common Name: ent-3b,16,18- Trihydroxy-6-oxomanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-5-20(12-22)9-6-14-17(2)8-7-15(24)18(3,11-21)16(17)13(23)10-19(14,4)25-20/h5,14-16,21-22,24H,1,6-12H2,2-4H3/t14-,15+,16-,17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=AYRYWLCAVWYVIS-IJMQKCTASA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
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) | 37.5 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 74.3 |
| 4 (C) | 41.2 |
| 5 (CH) | 60 |
| 6 (C) | 208.2 |
| 7 (CH2) | 60.3 |
| 8 (C) | 77.5 |
| 9 (CH) | 52.7 |
| 10 (C) | 40 |
| 11 (CH2) | 15.1 |
| 12 (CH2) | 26.1 |
| 13 (C) | 77.7 |
| 14 (CH) | 143.2 |
| 15 (CH2) | 114.7 |
| 16 (CH2) | 68.4 |
| 17 (CH3) | 26.4 |
| 18 (CH2) | 68.4 |
| 19 (CH3) | 11.4 |
| 20 (CH3) | 16.6 |
