Spektraris NMR
ent-3b,16-Dihydroxy-13-epi-manoyl oxide
Common Name: ent-3b,16-Dihydroxy-13-epi-manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-6-20(13-21)12-8-15-18(4)10-9-16(22)17(2,3)14(18)7-11-19(15,5)23-20/h6,14-16,21-22H,1,7-13H2,2-5H3/t14-,15+,16-,18-,19+,20+/m1/s1
InChIKey: InChIKey=KJNQJLPCYOCDEO-ZZLHTRIOSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Piacente, S., Aquino, R., Detommasi, N., Pizza, C., Deugaz, O.L., Orellana, H.C., Mahmood, N. Phytochemistry (1994) 36, 991-6
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) | 38.9 |
| 2 (CH2) | 28 |
| 3 (CH) | 79.6 |
| 4 (C) | 39.9 |
| 5 (CH) | 56 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 42.2 |
| 8 (C) | 77.5 |
| 9 (CH) | 59.4 |
| 10 (C) | 38 |
| 11 (CH2) | 16.5 |
| 12 (CH2) | 38.3 |
| 13 (C) | 77.5 |
| 14 (CH) | 145.6 |
| 15 (CH2) | 113.8 |
| 16 (CH2) | 71.4 |
| 17 (CH3) | 24.6 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 28.6 |
| 20 (CH3) | 16 |
