Spektraris NMR
(18alpha,19alpha)-Urs-20-ene-3,22-dione
Common Name: (18alpha,19alpha)-Urs-20-ene-3,22-dione
Synonyms: (18alpha,19alpha)-Urs-20-ene-3,22-dione
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-18-17-24(32)28(6)15-16-29(7)20(25(28)19(18)2)9-10-22-27(5)13-12-23(31)26(3,4)21(27)11-14-30(22,29)8/h17,19-22,25H,9-16H2,1-8H3/t19-,20-,21+,22-,25-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=PVKQKARZQXCEBC-YZMASTOMSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chiang, Y.M., Chang, J.Y., Kuo, C.C., Chang, C.Y., Kuo, Y.H. Phytochemistry (2005) 66, 495-501
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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) | 39.6 |
| 2 (CH2) | 34 |
| 3 (C) | 218.1 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.5 |
| 8 (C) | 41 |
| 9 (CH) | 49.6 |
| 10 (C) | 36.7 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 38.4 |
| 14 (C) | 42 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 28.5 |
| 17 (C) | 44.7 |
| 18 (CH) | 45.2 |
| 19 (CH) | 36.7 |
| 20 (C) | 162.5 |
| 21 (CH) | 122.9 |
| 22 (C) | 205.9 |
| 23 (CH3) | 26.8 |
| 24 (CH3) | 21 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 18.7 |
| 29 (CH3) | 22.6 |
| 30 (CH3) | 22.1 |
