Spektraris NMR
Pulcherrol (epi-b-amyrin)
Common Name: Pulcherrol (epi-b-amyrin)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=JFSHUTJDVKUMTJ-XJNUBZBUSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tamai M., Watanabe N., Someya M., Kondoh H., Omura S., Ling Z.P., Chang R., Ming C.W. Planta Med (1989) 55, 44
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 33 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.4 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.5 |
| 8 (C) | 40 |
| 9 (CH) | 47.4 |
| 10 (C) | 37 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 121.8 |
| 13 (C) | 145.2 |
| 14 (C) | 41.8 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 26.9 |
| 17 (C) | 32.5 |
| 18 (CH) | 47.2 |
| 19 (CH2) | 46.8 |
| 20 (C) | 31.1 |
| 21 (CH2) | 34.7 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 22.3 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.7 |
