Spektraris NMR
Pachanol A
Common Name: Pachanol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-17-13-30-15-23(34-25(30)33)27(4,16-31)14-19(30)18-7-8-21-28(5)12-10-22(32)26(2,3)20(28)9-11-29(21,6)24(17)18/h7,19-23,31-32H,8-16H2,1-6H3/t19?,20?,21-,22+,23?,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=JSNCLYJIPUAGQE-GRWZIDRFSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takizawa T., Kinoshita K., Koyama K., Takahashi K., Kondo N., Yuasa H., Kawai K. J Nat Prod (1993) 56, 2183
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 39.1 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 77.9 |
| 4 (C) | 39.2 |
| 5 (CH) | 54.5 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 41.1 |
| 8 (C) | 40.4 |
| 9 (CH) | 55.4 |
| 10 (C) | 38.1 |
| 11 (CH2) | 22.9 |
| 12 (CH) | 124 |
| 13 (C) | 132 |
| 14 (C) | 140 |
| 15 (C) | 125.4 |
| 16 (CH2) | 42.4 |
| 17 (C) | 45.2 |
| 18 (CH) | 39.3 |
| 19 (CH2) | 29 |
| 20 (C) | 38.7 |
| 21 (CH) | 80.2 |
| 22 (CH2) | 33 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 19 |
| 27 (CH3) | 23.8 |
| 28 (C) | 180.3 |
| 29 (CH3) | 21.8 |
| 30 (CH2) | 68.9 |
