Spektraris NMR
(8beta)-3,4-Secoferna-4(23),9(11)-dien-3-oic acid
Common Name: (8beta)-3,4-Secoferna-4(23),9(11)-dien-3-oic acid
Synonyms: (8beta)-3,4-Secoferna-4(23),9(11)-dien-3-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19(2)21-9-10-24-23(27(21,5)15-14-26(31)32)13-16-30(8)25-12-11-22(20(3)4)28(25,6)17-18-29(24,30)7/h13,20-22,24-25H,1,9-12,14-18H2,2-8H3,(H,31,32)/t21-,22+,24+,25+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=UQVLTKFIRTZARY-OJRKAWJFSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Ida, T., Kita, S., Kamisako, W., Matsunaga, S. Phytochemistry (1996) 41, 1163-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Fernanes; 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) | 35.6 |
| 2 (CH2) | 29.5 |
| 3 (C) | 180.7 |
| 4 (C) | 146 |
| 5 (CH) | 51 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 19.4 |
| 8 (CH) | 40.4 |
| 9 (C) | 141.7 |
| 10 (C) | 41.2 |
| 11 (CH) | 119.3 |
| 12 (CH2) | 36.73 |
| 13 (C) | 36.66 |
| 14 (C) | 38.6 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 35.9 |
| 17 (C) | 42.8 |
| 18 (CH) | 52 |
| 19 (CH2) | 20.2 |
| 20 (CH2) | 28.2 |
| 21 (CH) | 59.6 |
| 22 (CH) | 30.8 |
| 23 (CH2) | 113.1 |
| 24 (CH3) | 25.6 |
| 25 (CH3) | 22.6 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 14.1 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 23 |
