Spektraris NMR
Cyclopassifloic acid F
Common Name: Cyclopassifloic acid F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)/t18-,19-,20+,21+,22+,23+,24-,26-,27+,28+,29+,30+,31-/m1/s1
InChIKey: InChIKey=CPHVNLRAJPTYSD-JEDROQFESA-N
Formula: C31H52O7
Molecular Weight: 536.741567
Exact Mass: 536.371304
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) | 72.6 |
| 2 (CH2) | 38.9 |
| 3 (CH) | 70.9 |
| 4 (C) | 55.8 |
| 5 (CH) | 37.9 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 26.4 |
| 8 (CH) | 48.5 |
| 9 (C) | 20.5 |
| 10 (C) | 30.5 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 33.3 |
| 13 (C) | 48 |
| 14 (C) | 47.2 |
| 15 (CH2) | 48.5 |
| 16 (CH) | 77.2 |
| 17 (CH) | 61 |
| 18 (CH3) | 19.2 |
| 19 (CH2) | 29.2 |
| 20 (CH) | 35.3 |
| 21 (CH3) | 19.5 |
| 22 (CH2) | 30.5 |
| 23 (CH2) | 30 |
| 24 (C) | 76.6 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 17.8 |
| 28 (C) | 180.1 |
| 29 (CH3) | 9.9 |
| 30 (CH3) | 20.5 |
| 24a (CH2) | 66.1 |
