Spektraris NMR
ent-3b,7b,12a-Trihydroxy-13-epi-manoyl oxide
Common Name: ent-3b,7b,12a-Trihydroxy-13-epi-manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-7-19(5)15(22)11-13-18(4)9-8-14(21)17(2,3)12(18)10-16(23)20(13,6)24-19/h7,12-16,21-23H,1,8-11H2,2-6H3/t12-,13+,14-,15-,16-,18-,19+,20-/m1/s1
InChIKey: InChIKey=MLXIZRKUQFIEHN-UUMDSRSQSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Linan, E., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1995) 38, 1237-44
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) | 37.1 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78.7 |
| 4 (C) | 38.9 |
| 5 (CH) | 53.3 |
| 6 (CH2) | 26.7 |
| 7 (CH) | 80.4 |
| 8 (C) | 79.4 |
| 9 (CH) | 47.3 |
| 10 (C) | 36.4 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 68.8 |
| 13 (C) | 76.1 |
| 14 (CH) | 146.7 |
| 15 (CH2) | 111.1 |
| 16 (CH3) | 26.8 |
| 17 (CH3) | 17.9 |
| 18 (CH3) | 28.1 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 16.1 |
