Spektraris NMR
3,11-Dioxours-12-ene
Common Name: 3,11-Dioxours-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-18-9-12-27(5)15-16-29(7)20(24(27)19(18)2)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h17-19,22,24-25H,9-16H2,1-8H3/t18-,19+,22+,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=LZXVZTSHGYUWRT-YMWLQLAQSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Giner Pons R. M., Gray A. I. L. C. M. G., Gibbons S., Waterman P. G. Phytochemistry (1992) 31, 223
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) | 40 |
| 2 (CH2) | 34.4 |
| 3 (C) | 217 |
| 4 (C) | 47.9 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 19 |
| 7 (CH2) | 32.4 |
| 8 (C) | 43.9 |
| 9 (CH) | 60.9 |
| 10 (C) | 36.8 |
| 11 (C) | 199.2 |
| 12 (CH) | 130.5 |
| 13 (C) | 165.5 |
| 14 (C) | 45.1 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 27.4 |
| 17 (C) | 34.3 |
| 18 (CH) | 59.2 |
| 19 (CH) | 39.4 |
| 20 (CH) | 39.4 |
| 21 (CH2) | 31 |
| 22 (CH2) | 41 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 20.6 |
| 28 (CH3) | 29 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 21.3 |
