Spektraris NMR
Papyriferic acid
Common Name: Papyriferic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25-,26+,29-,32-,33+,34+,35-/m0/s1
InChIKey: InChIKey=RLVAVWQAAQFUOP-IEKKKTHBSA-N
Formula: C35H56O8
Molecular Weight: 604.815678
Exact Mass: 604.397519
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Taipale, H.T., Vepsalainen, J., Laatikainen, R., Reichardt, P.B., Lapinjoki, S.P. Phytochemistry (1993) 34, 755-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 34.1 |
| 2 (CH2) | 22.7 |
| 3 (CH) | 79.9 |
| 4 (C) | 36.9 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 34.4 |
| 8 (C) | 39.9 |
| 9 (CH) | 49.7 |
| 10 (C) | 37.2 |
| 11 (CH2) | 28.4 |
| 12 (CH) | 75.8 |
| 13 (CH) | 46.4 |
| 14 (C) | 52.4 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 16 |
| 20 (C) | 86.1 |
| 21 (CH3) | 22.3 |
| 22 (CH2) | 38.9 |
| 23 (CH2) | 26.2 |
| 24 (CH) | 83.4 |
| 25 (C) | 71.7 |
| 26 (CH3) | 27.3 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 28 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 15.7 |
| 3a (C) | 169.2 |
| 3b (CH2) | 41.7 |
| 3c (C) | 167.2 |
| 12a (C) | 170.8 |
| 12b (CH3) | 21.9 |
