Spektraris NMR
5alpha-Oleana-9(11),12-diene-3-one
Common Name: 5alpha-Oleana-9(11),12-diene-3-one
Synonyms: 5alpha-Oleana-9(11),12-diene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H46O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9-10,21-22H,11-19H2,1-8H3/t21-,22-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=FNDRZTFLVFHJIM-YSFYVZBISA-N
Formula: C30H46O1
Molecular Weight: 422.686757
Exact Mass: 422.354866
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barnes R.A., Perlera A.L., Scofield T.C.V., Fieho R.B., Pinto A.C. Chem Pharm Bull (1984) 32, 3674
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) | 37 |
| 2 (CH2) | 34.5 |
| 3 (C) | 217.5 |
| 4 (C) | 47.2 |
| 5 (CH) | 51.7 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 31.2 |
| 8 (C) | 40.6 |
| 9 (C) | 152.1 |
| 10 (C) | 38.1 |
| 11 (CH) | 117.3 |
| 12 (CH) | 120.4 |
| 13 (C) | 147.2 |
| 14 (C) | 49.9 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 25.6 |
| 17 (C) | 32.1 |
| 18 (CH) | 45.6 |
| 19 (CH2) | 46.8 |
| 20 (C) | 31.6 |
| 21 (CH2) | 34.5 |
| 22 (CH2) | 37.7 |
| 23 (CH3) | 26.8 |
| 24 (CH3) | 21.2 |
| 25 (CH3) | 20.5 |
| 26 (CH3) | 19.9 |
| 27 (CH3) | 25.2 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
