Spektraris NMR
Bryonolol
Common Name: Bryonolol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)22-9-8-21-20(28(22,5)12-11-24(25)32)10-13-30(7)23-18-26(3,19-31)14-15-27(23,4)16-17-29(21,30)6/h22-24,31-32H,8-19H2,1-7H3/t22-,23+,24-,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=ZTFHGNGMNAIRAI-QWNCWLTKSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.R., Chen, H.W., Chang, C.I. Chem Pharm Bull (2008) 56, 385-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : D:C-Friedooleananes; 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) | 35 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 27.4 |
| 8 (C) | 135.3 |
| 9 (C) | 133.4 |
| 10 (C) | 37.5 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 30.7 |
| 13 (C) | 37.6 |
| 14 (C) | 40.6 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 36.3 |
| 17 (C) | 31.1 |
| 18 (CH) | 43 |
| 19 (CH2) | 28.6 |
| 20 (C) | 33.1 |
| 21 (CH2) | 28.9 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 19.8 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 18 |
| 28 (CH3) | 31.3 |
| 29 (CH2) | 72.7 |
| 30 (CH3) | 27.7 |
