Spektraris NMR
3a-('3'',4''-Dihydroxy-trans-cinnamoyloxy)-D-friedoolean-14-en-28-oic acid
Common Name: 3a-('3'',4''-Dihydroxy-trans-cinnamoyloxy)-D-friedoolean-14-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H54O6/c1-34(2)20-21-39(33(43)44)19-14-29-37(6)16-12-27-35(3,4)31(45-32(42)11-9-24-8-10-25(40)26(41)22-24)15-18-36(27,5)28(37)13-17-38(29,7)30(39)23-34/h8-11,14,22,27-28,30-31,40-41H,12-13,15-21,23H2,1-7H3,(H,43,44)/b11-9+/t27-,28+,30-,31+,36-,37+,38+,39+/m0/s1
InChIKey: InChIKey=FQQJILVEMCMTND-STJIZVOHSA-N
Formula: C39H54O6
Molecular Weight: 618.84393
Exact Mass: 618.392039
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Sultanova, N., Makhmoor, T., Yasin, A., Abilov, Z.A., Omurkamzinova, V.B., Atta ur, R., Choudhary, M.I. Planta Med (2004) 70, 65-7
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) | 36.4 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 79.4 |
| 4 (C) | 38.3 |
| 5 (CH) | 51.7 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 42 |
| 8 (C) | 40 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.1 |
| 11 (CH2) | 18.2 |
| 12 (CH2) | 34.1 |
| 13 (C) | 37.6 |
| 14 (C) | 161.3 |
| 15 (CH) | 116.2 |
| 16 (CH2) | 32.8 |
| 17 (C) | 52.1 |
| 18 (CH) | 42.7 |
| 19 (CH2) | 34.6 |
| 20 (C) | 30.4 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 32.1 |
| 23 (CH3) | 28.4 |
| 24 (CH3) | 22.2 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 26.6 |
| 27 (CH3) | 22.8 |
| 28 (C) | 182.2 |
| 29 (CH3) | 32.5 |
| 30 (CH3) | 29.3 |
| 3a (C) | 168 |
| 3b (CH) | 115.5 |
| 3c (CH) | 146.5 |
| 3d (C) | 127.4 |
| 3e (CH) | 115 |
| 3f (C) | 146.4 |
| 3g (C) | 149.2 |
| 3h (CH) | 117.7 |
| 3i (CH) | 122.7 |
