Spektraris NMR
ent-2-Oxo-15,16,19-trihydroxypimar-8(14)-ene
Common Name: ent-2-Oxo-15,16,19-trihydroxypimar-8(14)-ene
Synonyms: ent-2-Oxo-15,16,19-trihydroxypimar-8(14)-ene
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,15-17,21-22,24H,4-7,9-12H2,1-3H3/t15-,16-,17?,18+,19+,20+/m1/s1
InChIKey: InChIKey=DMTGVNZTCBSUQP-JZKVUKHVSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xiang, Y., Zhang, H., Fan, C.Q., Yue, J.M. J Nat Prod (2004) 67, 1517-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 55 |
| 2 (C) | 215.5 |
| 3 (CH2) | 51.4 |
| 4 (C) | 46 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 24.2 |
| 7 (CH2) | 37.5 |
| 8 (C) | 139.2 |
| 9 (CH) | 52.4 |
| 10 (C) | 45.4 |
| 11 (CH2) | 20 |
| 12 (CH2) | 33.4 |
| 13 (C) | 39 |
| 14 (CH) | 131.2 |
| 15 (CH) | 78.1 |
| 16 (CH2) | 64.8 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 66.3 |
| 20 (CH3) | 17.1 |
