Spektraris NMR
19,20-Secoursane-3,19,20-trione
Common Name: 19,20-Secoursane-3,19,20-trione
Synonyms: 19,20-Secoursane-3,19,20-trione
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(31)11-14-27(5)17-18-29(7)21(25(27)20(2)32)9-10-23-28(6)15-13-24(33)26(3,4)22(28)12-16-30(23,29)8/h21-23,25H,9-18H2,1-8H3/t21-,22+,23-,25+,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=KCCRHFPQWKGECK-ZTYHJXJKSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Lin, H.Y. Helv Chim Acta (2004) 87, 1071-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Baccharanes; 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) | 39.5 |
| 2 (CH2) | 34 |
| 3 (C) | 218.1 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 32.3 |
| 8 (C) | 41.8 |
| 9 (CH) | 49.5 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22 |
| 12 (CH2) | 28.7 |
| 13 (CH) | 35.2 |
| 14 (C) | 41.5 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 29.8 |
| 17 (C) | 35.5 |
| 18 (CH) | 59.6 |
| 19 (C) | 213.2 |
| 20 (C) | 209.1 |
| 21 (CH2) | 38.3 |
| 22 (CH2) | 34.8 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 21 |
| 25 (CH3) | 16 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 13.7 |
| 28 (CH3) | 24 |
| 29 (CH3) | 36.3 |
| 30 (CH3) | 29.7 |
