Spektraris NMR
3,4-Secofriedelan-3,28-dioic acid
Common Name: 3,4-Secofriedelan-3,28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-8-26(4)12-11-21-27(5,20(26)9-10-23(31)32)14-15-29(7)22-19-25(2,3)13-17-30(22,24(33)34)18-16-28(21,29)6/h20-22H,8-19H2,1-7H3,(H,31,32)(H,33,34)/t20-,21+,22+,26+,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=FTXPTSPQRPOGGC-NQPDDCDISA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Laure, F., Herbette, G., Faure, R., Bianchini, J.P., Raharivelomanana, P., Fogliani, B. Magn Reson Chem (2005) 43, 65-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 22.55 |
| 2 (CH2) | 38.93 |
| 3 (C) | 177.88 |
| 4 (CH2) | 37.17 |
| 5 (C) | 38.84 |
| 6 (CH2) | 39.96 |
| 7 (CH2) | 19.06 |
| 8 (CH) | 54.32 |
| 9 (C) | 40.38 |
| 10 (CH) | 60.83 |
| 11 (CH2) | 36.21 |
| 12 (CH2) | 32.01 |
| 13 (C) | 38.84 |
| 14 (C) | 39.96 |
| 15 (CH2) | 33.83 |
| 16 (CH2) | 30.82 |
| 17 (C) | 45.84 |
| 18 (CH) | 39.09 |
| 19 (CH2) | 35.97 |
| 20 (C) | 29.4 |
| 21 (CH2) | 33.66 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 7.94 |
| 24 (CH3) | 19.89 |
| 25 (CH3) | 18.11 |
| 26 (CH3) | 21.27 |
| 27 (CH3) | 19.14 |
| 28 (C) | 182.69 |
| 29 (CH3) | 30.31 |
| 30 (CH3) | 35.03 |
