Spektraris NMR
uvaol
Common Name: uvaol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=XUARCIYIVXVTAE-ZAPOICBTSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui S., Hafeez F., Begum S., Siddiqui B. S. J Nat Prod (1986) 49, 1086
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.8 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.4 |
| 9 (CH) | 47.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 125 |
| 13 (C) | 138 |
| 14 (C) | 42.8 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 22.6 |
| 17 (C) | 36.8 |
| 18 (CH) | 54.1 |
| 19 (CH) | 38.9 |
| 20 (CH) | 39.4 |
| 21 (CH2) | 30.7 |
| 22 (CH2) | 30.6 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 23.4 |
| 28 (CH2) | 69.7 |
| 29 (CH3) | 16.2 |
| 30 (CH3) | 21.3 |
