Spektraris NMR
phlegmariurol A
Common Name: phlegmariurol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-26-13-10-23-28(3,15-12-25(34)30(23,5)18-32)21(26)9-7-20-19(16-26)6-8-22-27(20,2)14-11-24(33)29(22,4)17-31/h6,20-25,31-34H,7-18H2,1-5H3/t20-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=FAZJGQBGRJYILG-IUCYTYENSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yan, J., Cheng, B.H., Zhang, X.M., Qiu, M.H. Helv Chim Acta (2006) 89, 2975-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 34.3 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 70.1 |
| 4 (C) | 44.3 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 46 |
| 8 (C) | 37.7 |
| 9 (CH) | 63.1 |
| 10 (C) | 38.2 |
| 11 (CH2) | 25.6 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 57.4 |
| 14 (C) | 139.2 |
| 15 (CH) | 122.5 |
| 16 (CH2) | 24.4 |
| 17 (CH) | 38.6 |
| 18 (C) | 36.1 |
| 19 (CH2) | 31.7 |
| 20 (CH2) | 26.7 |
| 21 (CH) | 75.7 |
| 22 (C) | 40.8 |
| 23 (CH3) | 23.6 |
| 24 (CH2) | 65.8 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 20.2 |
| 27 (CH2) | 56.9 |
| 28 (CH3) | 14.7 |
| 29 (CH3) | 17.6 |
| 30 (CH2) | 70.7 |
