Spektraris NMR
11α,12α-Epoxy-3β, 23-dihydroxy-30-norolean-20(29)-en-28,13β-olide
Common Name: 11α,12α-Epoxy-3β, 23-dihydroxy-30-norolean-20(29)-en-28,13β-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29-/m1/s1
InChIKey: InChIKey=WYALGIWVJKDMAS-FJHCYMANSA-N
Formula: C29H42O5
Molecular Weight: 470.641877
Exact Mass: 470.303224
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kamiya, K., Yoshioka, K., Saiki, Y., Ikuta, A., Satake, T. Phytochemistry (1997) 44, 141-4
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) | 38.6 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 72.9 |
| 4 (C) | 43.1 |
| 5 (CH) | 48 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 31.2 |
| 8 (C) | 41 |
| 9 (CH) | 51.3 |
| 10 (C) | 36.7 |
| 11 (CH) | 53 |
| 12 (CH) | 57.3 |
| 13 (C) | 87.1 |
| 14 (C) | 41.7 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 22 |
| 17 (C) | 44.1 |
| 18 (CH) | 54.8 |
| 19 (CH2) | 34.7 |
| 20 (C) | 147.7 |
| 21 (CH2) | 32.4 |
| 22 (CH2) | 30.2 |
| 23 (CH2) | 67.1 |
| 24 (CH3) | 12.7 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 20.4 |
| 28 (C) | 178.2 |
| 29 (CH2) | 109.8 |
