Spektraris NMR
Abrisasapogenol J
Common Name: Abrisasapogenol J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)16-19-18-15-20(31)24-28(6)11-10-22(32)26(3,4)21(28)9-12-30(24,8)29(18,7)14-13-27(19,5)23(33)17-25/h21-24,32-33H,9-17H2,1-8H3/t21-,22-,23+,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=JWLMOLHANODCQP-XJNUBZBUSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kinzo J., Matsumoto K., Inoue M., Takeshita T., Nghara T. Chem Pharm Bull (1991) 39, 116
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) | 38.6 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 77.7 |
| 4 (C) | 38.9 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 18 |
| 7 (CH2) | 33.2 |
| 8 (C) | 42.7 |
| 9 (CH) | 63.4 |
| 10 (C) | 36.9 |
| 11 (C) | 209.2 |
| 12 (CH2) | 45.1 |
| 13 (C) | 132.8 |
| 14 (C) | 43.8 |
| 15 (CH2) | 25.4 |
| 16 (CH2) | 33.3 |
| 17 (C) | 40.2 |
| 18 (C) | 133.5 |
| 19 (CH2) | 37.9 |
| 20 (C) | 32.2 |
| 21 (CH2) | 43.5 |
| 22 (CH) | 78.8 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 20.4 |
| 28 (CH3) | 16.7 |
| 29 (CH3) | 32.2 |
| 30 (CH3) | 25.1 |
