Spektraris NMR
Przewanoic acid A
Common Name: Przewanoic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)11-12-29(24(33)34)10-8-20-27(5)9-7-19-26(3,4)23(32)18(31)15-28(19,6)21(27)13-17-14-30(17,20)22(29)16-25/h8,17-19,21-23,31-32H,7,9-16H2,1-6H3,(H,33,34)/t17-,18-,19+,21+,22-,23-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=PKEQJOUCSZJCQC-RURNFIJHSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang N., Niwa M., Luo H.W. Phytochemistry (1988) 27, 299
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 42.8 |
| 2 (CH) | 66.2 |
| 3 (CH) | 79.2 |
| 4 (C) | 38.7 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 35.7 |
| 8 (C) | 38.7 |
| 9 (CH) | 48 |
| 10 (C) | 37.5 |
| 11 (CH2) | 18.5 |
| 12 (CH) | 14.9 |
| 13 (C) | 23.8 |
| 14 (C) | 156.6 |
| 15 (CH) | 118.3 |
| 16 (CH2) | 31.1 |
| 17 (C) | 52.8 |
| 18 (CH) | 34.9 |
| 19 (CH2) | 38.9 |
| 20 (C) | 29 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 31.1 |
| 23 (CH3) | 29.5 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 22.2 |
| 27 (CH2) | 11.5 |
| 28 (C) | 179.9 |
| 29 (CH3) | 32.6 |
| 30 (CH3) | 22.8 |
