Spektraris NMR
pinicolol B
Common Name: pinicolol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-26,31-33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,25-,26-,28+,29+,30+/m0/s1
InChIKey: InChIKey=SYYMLPJRZHTLKJ-LNISQLTRSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ràsecke, J., Kànig, W.A. Phytochemistry (1999) 52, 1621-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.75 |
| 2 (CH2) | 27.78 |
| 3 (CH) | 78.89 |
| 4 (C) | 38.7 |
| 5 (CH) | 48.95 |
| 6 (CH2) | 22.98 |
| 7 (CH) | 121.61 |
| 8 (C) | 140.76 |
| 9 (C) | 144.35 |
| 10 (C) | 37.46 |
| 11 (CH) | 115.77 |
| 12 (CH2) | 37.88 |
| 13 (C) | 44.16 |
| 14 (C) | 52.06 |
| 15 (CH) | 74.66 |
| 16 (CH2) | 39.63 |
| 17 (CH) | 42.98 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 22.87 |
| 20 (CH) | 42.36 |
| 21 (CH2) | 62.45 |
| 22 (CH2) | 29.76 |
| 23 (CH2) | 25.01 |
| 24 (CH) | 124.61 |
| 25 (C) | 131.73 |
| 26 (CH3) | 17.77 |
| 27 (CH3) | 25.74 |
| 28 (CH3) | 15.84 |
| 29 (CH3) | 28.17 |
| 30 (CH3) | 17.25 |
