Spektraris NMR
3,11-Dioxo-olean-18-ene
Common Name: 3,11-Dioxo-olean-18-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h18-19,22,24H,9-17H2,1-8H3/t19-,22+,24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=CSUVKZSGHGSBEH-HSAKCBPESA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez A.G., Mendoza J.J., Ravelo A.G., Luis J.G., Dominguez X.A. J Nat Prod (1989) 52, 567
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) | 38.9 |
| 2 (CH2) | 34.1 |
| 3 (C) | 216.6 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 33 |
| 8 (C) | 45.8 |
| 9 (CH) | 63 |
| 10 (C) | 36.2 |
| 11 (C) | 211.8 |
| 12 (CH2) | 44.4 |
| 13 (CH) | 40.3 |
| 14 (C) | 43.3 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 37.2 |
| 17 (C) | 34.6 |
| 18 (C) | 140.4 |
| 19 (CH) | 130.4 |
| 20 (C) | 32.3 |
| 21 (CH2) | 33.1 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 26.2 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 14.2 |
| 28 (CH3) | 25.1 |
| 29 (CH3) | 31.1 |
| 30 (CH3) | 29.1 |
