Spektraris NMR
Ulmudiol
Common Name: Ulmudiol
Synonyms: Ulmudiol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-18-11-13-27(5)15-16-28(6)20-9-10-22-26(3,4)23(31)17-24(32)30(22,8)21(20)12-14-29(28,7)25(27)19(18)2/h9,18-19,21-25,31-32H,10-17H2,1-8H3/t18-,19+,21+,22+,23+,24+,25-,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=XAEHAXYUIJPVHK-TZIWFCPOSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, D., Xia, M., Cui, Z. Chem Pharm Bull (2006) 54, 775-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Baueranes; 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 (CH) | 72.5 |
| 2 (CH2) | 34.8 |
| 3 (CH) | 73.3 |
| 4 (C) | 39.1 |
| 5 (CH) | 43.6 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 115.7 |
| 8 (C) | 145.3 |
| 9 (CH) | 40 |
| 10 (C) | 39 |
| 11 (CH2) | 16.4 |
| 12 (CH2) | 32.2 |
| 13 (C) | 37.7 |
| 14 (C) | 41.3 |
| 15 (CH2) | 28.9 |
| 16 (CH2) | 31.5 |
| 17 (C) | 32 |
| 18 (CH) | 54.9 |
| 19 (CH) | 35.3 |
| 20 (CH) | 32 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 37.7 |
| 23 (CH3) | 27.6 |
| 24 (CH3) | 14.5 |
| 25 (CH3) | 13.5 |
| 26 (CH3) | 23.6 |
| 27 (CH3) | 22.6 |
| 28 (CH3) | 38 |
| 29 (CH3) | 25.6 |
| 30 (CH3) | 22.5 |
