Spektraris NMR
Gypsogenic acid
Common Name: Gypsogenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=PAIBKVQNJKUVCE-JUENUIDLSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hidaka K., Ito M., Matsuda Y., Kohda H., Yamasaki K., Yamahara. Phytochemistry (1987) 26, 2023
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 37.6 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 74 |
| 4 (C) | 53 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 31.5 |
| 8 (C) | 38.6 |
| 9 (CH) | 46.9 |
| 10 (C) | 35.3 |
| 11 (CH2) | 22.3 |
| 12 (CH) | 122.4 |
| 13 (C) | 143.3 |
| 14 (C) | 40.7 |
| 15 (CH2) | 26.8 |
| 16 (CH2) | 22.2 |
| 17 (C) | 45.1 |
| 18 (CH) | 40.5 |
| 19 (CH2) | 45 |
| 20 (C) | 29.5 |
| 21 (CH2) | 32.7 |
| 22 (CH2) | 31.5 |
| 23 (C) | 179.2 |
| 24 (CH3) | 10.7 |
| 25 (CH3) | 14.5 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 24.7 |
| 28 (C) | 178.7 |
| 29 (CH3) | 31.8 |
| 30 (CH3) | 22.3 |
