Spektraris NMR
13,28-epoxy-11-oleanene-3-one
Common Name: 13,28-epoxy-11-oleanene-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-20-25(3,4)23(31)10-11-26(20,5)21(27)9-13-30(28,32-19-29)22(29)18-24/h9,13,20-22H,8,10-12,14-19H2,1-7H3/t20-,21+,22+,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=BFSRJRKZZSIEFP-LOXDOLLQSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kagawa, M., Minami, H., Nakahara, M., Takahashi, H., Takaoka, S., Fukuyama, Y. Phytochemistry (1998) 47, 1337-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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 |
| 2 (CH2) | 34 |
| 3 (C) | 217.4 |
| 4 (C) | 47.7 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 30.7 |
| 8 (C) | 41.5 |
| 9 (CH) | 52.6 |
| 10 (C) | 36.2 |
| 11 (CH) | 131.6 |
| 12 (CH) | 131.4 |
| 13 (C) | 84.7 |
| 14 (C) | 43.8 |
| 15 (CH2) | 25.3 |
| 16 (CH2) | 25.6 |
| 17 (C) | 41.5 |
| 18 (CH) | 51.1 |
| 19 (CH2) | 37.1 |
| 20 (C) | 31.7 |
| 21 (CH2) | 34.9 |
| 22 (CH2) | 30.8 |
| 23 (CH3) | 20.8 |
| 24 (CH3) | 26.1 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 19 |
| 27 (CH3) | 19.3 |
| 28 (CH2) | 77.3 |
| 29 (CH3) | 33.6 |
| 30 (CH3) | 23.6 |
