Spektraris NMR
(13R)-Pimara-8,15-diene-1alpha,7alpha,14alpha,18-tetrol 7,14,18-triacetate
Common Name: (13R)-Pimara-8,15-diene-1alpha,7alpha,14alpha,18-tetrol 7,14,18-triacetate
Synonyms: (13R)-Pimara-8,15-diene-1alpha,7alpha,14alpha,18-tetrol 7,14,18-triacetate
CAS Registry Number:
InChI: InChI=1S/C26H38O7/c1-8-24(5)11-9-18-22(23(24)33-17(4)29)19(32-16(3)28)13-20-25(6,14-31-15(2)27)12-10-21(30)26(18,20)7/h8,19-21,23,30H,1,9-14H2,2-7H3/t19-,20+,21+,23-,24+,25+,26-/m1/s1
InChIKey: InChIKey=SZJIAOUOCZUDGP-BBBNJMSHSA-N
Formula: C26H38O7
Molecular Weight: 462.576716
Exact Mass: 462.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Khalil, A.T., Gedara, S.R., Lahloub, M.F., Halim, A.F., Voehler, M. Phytochemistry (1997) 44, 475-8
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 (CH) | 70.43 |
| 2 (CH2) | 24.41 |
| 3 (CH2) | 28.12 |
| 4 (C) | 35.83 |
| 5 (CH) | 33.5 |
| 6 (CH2) | 25.5 |
| 7 (CH) | 71.18 |
| 8 (C) | 125.4 |
| 9 (C) | 148.62 |
| 10 (C) | 43.74 |
| 11 (CH2) | 20.3 |
| 12 (CH2) | 27.34 |
| 13 (C) | 39.02 |
| 14 (CH) | 75.95 |
| 15 (CH) | 143.36 |
| 16 (CH2) | 113.03 |
| 17 (CH3) | 21.88 |
| 18 (CH2) | 72.22 |
| 19 (CH3) | 17.42 |
| 20 (CH3) | 19.71 |
| 7a (C) | 170.43 |
| 7b (CH3) | 21.26 |
| 14a (C) | 170.88 |
| 14b (CH3) | 21 |
| 18a (C) | 170.54 |
| 18b (CH3) | 21.26 |
