Spektraris NMR
Abrisapogenol B
Common Name: Abrisapogenol B
Synonyms: Abrisapogenol B
CAS Registry Number:
InChI: InChI=1S/C30H50O4/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/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=VEDTYRJAYMXHSG-YGRZPYPDSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sun R.Q., Jia Z.J. Phytochemistry (1990) 29, 2032
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) | 39 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 80 |
| 4 (C) | 43.1 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.5 |
| 8 (C) | 39.9 |
| 9 (CH) | 48.1 |
| 10 (C) | 37 |
| 11 (CH2) | 24 |
| 12 (CH) | 122.4 |
| 13 (C) | 144.9 |
| 14 (C) | 42.3 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 28.9 |
| 17 (C) | 38.2 |
| 18 (CH) | 44.8 |
| 19 (CH2) | 41.5 |
| 20 (C) | 36.5 |
| 21 (CH2) | 37.3 |
| 22 (CH) | 75.6 |
| 23 (CH3) | 23.5 |
| 24 (CH2) | 64.5 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 25.5 |
| 28 (CH3) | 21.1 |
| 29 (CH2) | 73 |
| 30 (CH3) | 24.4 |
