Spektraris NMR
3-O-Dihydrocoumaroyl-b-amyrin
Common Name: 3-O-Dihydrocoumaroyl-b-amyrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H58O3/c1-34(2)21-22-36(5)23-24-38(7)28(29(36)25-34)14-15-31-37(6)19-18-32(35(3,4)30(37)17-20-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-10,12-14,29-32,40H,11,15-25H2,1-8H3/t29-,30-,31+,32-,36+,37-,38+,39+/m0/s1
InChIKey: InChIKey=XIVVFNWOZPZEIW-SSYQYTRCSA-N
Formula: C39H58O3
Molecular Weight: 574.877478
Exact Mass: 574.438596
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Takahashi, H., Iuchi, M., Fujita, Y., Minami, H., Fukuyama, Y. Phytochemistry (1999) 51, 543-50
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) | 38.2 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 81 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.6 |
| 8 (C) | 41.7 |
| 9 (CH) | 47.6 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 121.7 |
| 13 (C) | 145.2 |
| 14 (C) | 39.8 |
| 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) | 34.8 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 26 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.6 |
| 3a (C) | 172.9 |
| 3b (CH2) | 31.1 |
| 3c (CH2) | 29.7 |
| 3d (C) | 132.8 |
| 3e (CH) | 129.4 |
| 3f (CH) | 115.3 |
| 3g (C) | 154 |
| 3h (CH) | 115.3 |
| 3i (CH) | 129.4 |
