Spektraris NMR
13,28-Epoxy-3-oxours-11-ene
Common Name: 13,28-Epoxy-3-oxours-11-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3/t19-,20+,21+,22-,24-,26+,27-,28+,29-,30?/m1/s1
InChIKey: InChIKey=PKMBOLUTQNQQBP-GMUDISFGSA-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) | 39.1 |
| 2 (CH2) | 35.2 |
| 3 (C) | 167.8 |
| 4 (C) | 47.7 |
| 5 (CH) | 40.9 |
| 6 (CH2) | 16 |
| 7 (CH2) | 31.6 |
| 8 (C) | 41.7 |
| 9 (CH) | 54.8 |
| 10 (C) | 36.2 |
| 11 (CH) | 133.4 |
| 12 (CH) | 129 |
| 13 (C) | 84.9 |
| 14 (C) | 44.4 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 25.5 |
| 17 (C) | 42.5 |
| 18 (CH) | 61.5 |
| 19 (CH) | 37.9 |
| 20 (CH) | 32.5 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 34 |
| 23 (CH3) | 26.1 |
| 24 (CH3) | 20.9 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 19 |
| 28 (CH2) | 77.8 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 19.3 |
