Spektraris NMR
(13S)-Pimar-15-ene-2alpha,3beta,7beta,8-tetrol 2,7-diacetate
Common Name: (13S)-Pimar-15-ene-2alpha,3beta,7beta,8-tetrol 2,7-diacetate
Synonyms: (13S)-Pimar-15-ene-2alpha,3beta,7beta,8-tetrol 2,7-diacetate
CAS Registry Number:
InChI: InChI=1S/C24H38O6/c1-8-22(6)10-9-17-23(7)12-16(29-14(2)25)20(27)21(4,5)18(23)11-19(30-15(3)26)24(17,28)13-22/h8,16-20,27-28H,1,9-13H2,2-7H3/t16-,17-,18+,19+,20+,22+,23-,24-/m1/s1
InChIKey: InChIKey=JFLFIXZFDUFTFO-WJLISUKVSA-N
Formula: C24H38O6
Molecular Weight: 422.55584
Exact Mass: 422.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Labbe, C., Castillo, M., Fainia, F., Coll, J., Connolly, J.D. Phytochemistry (1994) 35, 735-8
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) | 42.9 |
| 2 (CH) | 73 |
| 3 (CH) | 80.6 |
| 4 (C) | 39.7 |
| 5 (CH) | 52.2 |
| 6 (CH2) | 23.3 |
| 7 (CH) | 80.6 |
| 8 (C) | 73.3 |
| 9 (CH) | 55.4 |
| 10 (C) | 38.1 |
| 11 (CH2) | 17.1 |
| 12 (CH2) | 37.7 |
| 13 (C) | 36.1 |
| 14 (CH2) | 47.3 |
| 15 (CH) | 150.9 |
| 16 (CH2) | 109.1 |
| 17 (CH3) | 24.1 |
| 18 (CH3) | 28.6 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 16.6 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.2 |
| 7a (C) | 171.5 |
| 7b (CH3) | 21.3 |
