Spektraris NMR
olean-12-en-3bea,15alpha,24-triol
Common Name: olean-12-en-3bea,15alpha,24-triol
Synonyms: olean-12-en-3bea,15alpha,24-triol
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)14-15-26(3)17-24(33)30(7)19(20(26)16-25)8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-29(22,30)6/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=DMUKCLRLPXYUKD-LICRDSFHSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tanaka R., Tabuse M., Matsunaga S. Phytochemistry (1988) 27, 3563
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) | 39.1 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 80.2 |
| 4 (C) | 43.2 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 37.2 |
| 8 (C) | 41.6 |
| 9 (CH) | 48.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 123.7 |
| 13 (C) | 146.9 |
| 14 (C) | 48.2 |
| 15 (CH) | 66.9 |
| 16 (CH2) | 37.1 |
| 17 (C) | 33.3 |
| 18 (CH) | 48.3 |
| 19 (CH2) | 46.7 |
| 20 (C) | 31.2 |
| 21 (CH2) | 34.9 |
| 22 (CH2) | 38.7 |
| 23 (CH3) | 23.8 |
| 24 (CH2) | 64.7 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 20.9 |
| 28 (CH3) | 21.3 |
| 29 (CH3) | 33.5 |
| 30 (CH3) | 23.6 |
