Spektraris NMR
Cyclopassifloic acid E
Common Name: Cyclopassifloic acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)/t18-,19-,20-,21-,22-,23+,25+,26-,27-,28-,29-,30-,31+/m0/s1
InChIKey: InChIKey=DXAVXXNAJINCIJ-IFJDVWBUSA-N
Formula: C31H52O8
Molecular Weight: 552.740971
Exact Mass: 552.366219
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Katsuta, S., Mizumori, J., Arihara, S. J Nat Prod (2000) 63, 1377-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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 (CH) | 72.4 |
| 2 (CH2) | 38.6 |
| 3 (CH) | 70.7 |
| 4 (C) | 55.6 |
| 5 (CH) | 37.8 |
| 6 (CH2) | 23.3 |
| 7 (CH2) | 26.1 |
| 8 (CH) | 48 |
| 9 (C) | 20.8 |
| 10 (C) | 30.4 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 33.8 |
| 13 (C) | 46.7 |
| 14 (C) | 47.4 |
| 15 (CH2) | 49.6 |
| 16 (CH) | 73.6 |
| 17 (CH) | 55.3 |
| 18 (CH3) | 21.9 |
| 19 (CH2) | 29.9 |
| 20 (C) | 76.9 |
| 21 (CH3) | 26.1 |
| 22 (CH2) | 38.3 |
| 23 (CH2) | 29.9 |
| 24 (C) | 75.9 |
| 25 (CH) | 33.5 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 17.5 |
| 28 (C) | 180.6 |
| 29 (CH3) | 9.7 |
| 30 (CH3) | 20.5 |
| 24a (CH2) | 66 |
