Spektraris NMR
24-Epiquadrangularic acid G
Common Name: 24-Epiquadrangularic acid G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O7/c1-17(2)20(32)8-7-18(25(35)36)19-11-12-28(4)21-9-10-22-29(5,26(37)38-6)23(33)15-24(34)31(22)16-30(21,31)14-13-27(19,28)3/h18-24,32-34H,1,7-16H2,2-6H3,(H,35,36)/t18-,19-,20-,21+,22+,23+,24+,27-,28+,29+,30+,31-/m1/s1
InChIKey: InChIKey=KALMVCDXDQYBPA-WQXOJWCKSA-N
Formula: C31H48O7
Molecular Weight: 532.709803
Exact Mass: 532.340004
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. J Nat Prod (2000) 63, 57-64
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) | 72.1 |
| 2 (CH2) | 38.5 |
| 3 (CH) | 70.4 |
| 4 (C) | 56 |
| 5 (CH) | 37.8 |
| 6 (CH2) | 23.2 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 47.9 |
| 9 (C) | 20.8 |
| 10 (C) | 30.3 |
| 11 (CH2) | 26 |
| 12 (CH2) | 30.6 |
| 13 (C) | 45.7 |
| 14 (C) | 48.9 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 25.7 |
| 17 (CH) | 49 |
| 18 (CH3) | 18.3 |
| 19 (CH2) | 29.8 |
| 20 (CH) | 49.6 |
| 21 (C) | 178.5 |
| 22 (CH2) | 29.2 |
| 23 (CH2) | 35.4 |
| 24 (CH) | 74.8 |
| 25 (C) | 149.6 |
| 26 (CH2) | 110 |
| 27 (CH3) | 18.1 |
| 28 (C) | 178.1 |
| 29 (CH3) | 9.5 |
| 30 (CH3) | 19.4 |
| 28a (CH3) | 51.4 |
