Spektraris NMR
Saikogenin A
Common Name: Saikogenin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3/t21-,22-,23+,24+,26+,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=QGNVMEXLLPGQEV-HSFRRAFJSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shimizu K. , Amagaya S., Ogihara Y. Chem Pharm Bull (1985) 33, 3349
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) | 38.4 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 73.1 |
| 4 (C) | 43.1 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 32.4 |
| 8 (C) | 40.5 |
| 9 (CH) | 54.5 |
| 10 (C) | 36.8 |
| 11 (CH) | 127.1 |
| 12 (CH) | 125.7 |
| 13 (C) | 136.4 |
| 14 (C) | 44.4 |
| 15 (CH2) | 34.8 |
| 16 (CH) | 76.5 |
| 17 (C) | 44.4 |
| 18 (C) | 133.3 |
| 19 (CH2) | 38.4 |
| 20 (C) | 32.7 |
| 21 (CH2) | 35.1 |
| 22 (CH2) | 29.9 |
| 23 (CH2) | 67.4 |
| 24 (CH3) | 12.6 |
| 25 (CH3) | 18.6 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 22 |
| 28 (CH2) | 64 |
| 29 (CH3) | 24.8 |
| 30 (CH3) | 32.3 |
