Spektraris NMR
Caulophyllogenin
Common Name: Caulophyllogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=FABOBEOYNMHSHB-UAWZMHPWSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Becchi M., Brunetacan M., Trouliloud M., Combier H., Pontanier H., Michel G. Eur J Biochem (1980) 108, 271
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) | 38.8 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 73.5 |
| 4 (C) | 39.9 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.2 |
| 8 (C) | 42 |
| 9 (CH) | 47.2 |
| 10 (C) | 37.2 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.3 |
| 13 (C) | 144.9 |
| 14 (C) | 42.7 |
| 15 (CH2) | 36.1 |
| 16 (CH) | 74.6 |
| 17 (C) | 48.8 |
| 18 (CH) | 41.4 |
| 19 (CH2) | 47.2 |
| 20 (C) | 31 |
| 21 (CH2) | 36.1 |
| 22 (CH2) | 32.8 |
| 23 (CH2) | 68.1 |
| 24 (CH3) | 13.1 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 27.6 |
| 28 (C) | 179.7 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 24.7 |
