Spektraris NMR
D-Friedoolean-14-ene-3beta-ol 3-[(E)-3-(3,4-dihydroxyphenyl)acrylate]
![D-Friedoolean-14-ene-3beta-ol 3-[(E)-3-(3,4-dihydroxyphenyl)acrylate]](/nmr/static/nmr/svg/6065.svg)
Common Name: D-Friedoolean-14-ene-3beta-ol 3-[(E)-3-(3,4-dihydroxyphenyl)acrylate]
Synonyms: D-Friedoolean-14-ene-3beta-ol 3-[(E)-3-(3,4-dihydroxyphenyl)acrylate]
CAS Registry Number:
InChI: InChI=1S/C39H56O4/c1-34(2)21-22-36(5)17-13-29-38(7)18-14-28-35(3,4)32(43-33(42)12-10-25-9-11-26(40)27(41)23-25)16-20-37(28,6)30(38)15-19-39(29,8)31(36)24-34/h9-13,23,28,30-32,40-41H,14-22,24H2,1-8H3/b12-10+/t28-,30+,31+,32-,36-,37-,38-,39+/m0/s1
InChIKey: InChIKey=YOFAJHKDASWQBG-DIVHEEHWSA-N
Formula: C39H56O4
Molecular Weight: 588.861002
Exact Mass: 588.41786
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Laphookhieo, S., Karalai, C., Ponglimanont, C. Chem Pharm Bull (2004) 52, 883-5
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) | 37.3 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 81.1 |
| 4 (C) | 37.5 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 36.6 |
| 8 (C) | 38.9 |
| 9 (CH) | 48.6 |
| 10 (C) | 37.8 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 35 |
| 13 (C) | 37.8 |
| 14 (C) | 157.9 |
| 15 (CH) | 116.8 |
| 16 (CH2) | 37.6 |
| 17 (C) | 35.7 |
| 18 (CH) | 49.1 |
| 19 (CH2) | 41.1 |
| 20 (C) | 28.7 |
| 21 (CH2) | 33.6 |
| 22 (CH2) | 33 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 29.8 |
| 28 (CH3) | 29.7 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 21.2 |
| 3a (C) | 167.9 |
| 3b (CH) | 115.2 |
| 3c (CH) | 145 |
| 3d (C) | 126.8 |
| 3e (CH) | 114 |
| 3f (C) | 144.8 |
| 3g (C) | 147.3 |
| 3h (CH) | 115.2 |
| 3i (CH) | 121.8 |
