Spektraris NMR
Wistariasapogenol A
Common Name: Wistariasapogenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-23,31-33H,8-18H2,1-6H3/t20-,21+,22+,23-,25+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=MCXBUCDXRNABAN-MMZUORMZSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Konoshima T., Kozuka M., Haruna M., Iro K., Kimura T. Chem Pharm Bull (1989) 37, 1550
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) | 38.9 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 80.1 |
| 4 (C) | 43.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.4 |
| 8 (C) | 39.9 |
| 9 (CH) | 48 |
| 10 (C) | 37 |
| 11 (CH2) | 24 |
| 12 (CH) | 123.9 |
| 13 (C) | 142.2 |
| 14 (C) | 42.1 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 27.3 |
| 17 (C) | 47.8 |
| 18 (CH) | 47.4 |
| 19 (CH2) | 42.9 |
| 20 (C) | 38.8 |
| 21 (CH2) | 47 |
| 22 (C) | 216 |
| 23 (CH3) | 23.6 |
| 24 (CH2) | 64.5 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 21.3 |
| 29 (CH3) | 26.9 |
| 30 (CH2) | 68.3 |
