Spektraris NMR
ent-3beta,6beta-Dihydroxy-13-epimanoyl oxide
Common Name: ent-3beta,6beta-Dihydroxy-13-epimanoyl oxide
Synonyms: ent-3beta,6beta-Dihydroxy-13-epimanoyl oxide
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-7-18(4)10-8-14-19(5)11-9-15(22)17(2,3)16(19)13(21)12-20(14,6)23-18/h7,13-16,21-22H,1,8-12H2,2-6H3/t13-,14-,15+,16+,18-,19-,20-/m0/s1
InChIKey: InChIKey=WBGOXFKJMUSJSD-JTPITWTBSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Martinez, A., Onorato, M.E., Parra, A., Recondo, M.B., Rivas, F., Arrebola, M.L., Socorro, O. Phytochemistry (1994) 35, 645-50
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) | 39.6 |
| 2 (CH2) | 21.5 |
| 3 (CH) | 79.3 |
| 4 (C) | 39.1 |
| 5 (CH) | 56.2 |
| 6 (CH) | 69 |
| 7 (CH2) | 50.9 |
| 8 (C) | 15.2 |
| 9 (CH) | 59.2 |
| 10 (C) | 36.8 |
| 11 (CH2) | 16.1 |
| 12 (CH2) | 35.1 |
| 13 (C) | 73.4 |
| 14 (CH) | 147.8 |
| 15 (CH2) | 109.5 |
| 16 (CH3) | 33 |
| 17 (CH3) | 25 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 11.4 |
