Spektraris NMR
Caccigenin
Common Name: Caccigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)13-18-17-7-8-21-26(3)14-19(32)23(34)27(4,16-31)20(26)9-10-29(21,6)28(17,5)11-12-30(18,24(35)36)15-22(25)33/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20+,21+,22-,23-,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=ADFYMFQYUQYEQP-MUGVOSBHSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Romussi G., Falsone G., Crea A.E., Finner F. Archs Pharm (1983) 316, 499
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) | 47.4 |
| 2 (CH) | 68.9 |
| 3 (CH) | 78.3 |
| 4 (C) | 43.6 |
| 5 (CH) | 48 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.8 |
| 9 (CH) | 48.2 |
| 10 (C) | 38.5 |
| 11 (CH2) | 24 |
| 12 (CH) | 122.6 |
| 13 (C) | 144.1 |
| 14 (C) | 42.3 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 25.1 |
| 17 (C) | 48.7 |
| 18 (CH) | 41.6 |
| 19 (CH2) | 47.7 |
| 20 (C) | 36.8 |
| 21 (CH) | 72.5 |
| 22 (CH2) | 41.7 |
| 23 (CH2) | 66.5 |
| 24 (CH3) | 14.4 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 26.1 |
| 28 (C) | 179.4 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 17.8 |
