Spektraris NMR
Rigidenol
Common Name: Rigidenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-22,24-25,31H,1,9-17H2,2-8H3/t19-,20+,21+,22-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=XRTGGEDZRXMTSN-UNFHKAPWSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez A.G., Fraga B.M., Gonzalez P., Marta M., Monache F.D., Bettolo G.B.M., Mello J.F.D., Goncalves. Phytochemistry (1982) 21, 470
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 42.3 |
| 2 (CH2) | 34.2 |
| 3 (C) | 218.3 |
| 4 (C) | 47.7 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 34.4 |
| 8 (C) | 43.2 |
| 9 (CH) | 55.3 |
| 10 (C) | 38.5 |
| 11 (CH) | 70.8 |
| 12 (CH2) | 37.8 |
| 13 (CH) | 37.5 |
| 14 (C) | 42.7 |
| 15 (CH2) | 27.7 |
| 16 (CH2) | 35.6 |
| 17 (C) | 42.9 |
| 18 (CH) | 47.9 |
| 19 (CH) | 48 |
| 20 (C) | 150.4 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 40 |
| 23 (CH3) | 27.6 |
| 24 (CH3) | 20.9 |
| 25 (CH3) | 17 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 18.2 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.5 |
