Spektraris NMR
(20E)-22-Hydroxynigrum-20-en-3-one
Common Name: (20E)-22-Hydroxynigrum-20-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-20(10-9-15-26(3,4)32)22-13-17-30(8)25-14-16-27(5)21(2)23(31)11-12-24(27)28(25,6)18-19-29(22,30)7/h9,15,20-22,24-25,32H,10-14,16-19H2,1-8H3/b15-9+/t20-,21+,22-,24-,25+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=FLQDANIZFGMIBJ-JFFFIANTSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feng, C., Li, X.M., Ji, N.Y., Wang, B.G. Helv Chim Acta (2008) 91, 850-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 24 |
| 2 (CH2) | 42.2 |
| 3 (C) | 212.9 |
| 4 (CH) | 58.5 |
| 5 (C) | 40.5 |
| 6 (CH2) | 35.2 |
| 7 (CH2) | 20.2 |
| 8 (CH) | 45.3 |
| 9 (C) | 35.9 |
| 10 (CH) | 49.3 |
| 11 (CH2) | 34.6 |
| 12 (CH2) | 31.5 |
| 13 (C) | 45.8 |
| 14 (C) | 50.5 |
| 15 (CH2) | 36.1 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 50.4 |
| 18 (CH) | 36.6 |
| 19 (CH2) | 39.1 |
| 20 (CH) | 125.5 |
| 21 (CH) | 139.5 |
| 22 (C) | 70.7 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 15.7 |
| 25 (CH3) | 28.8 |
| 26 (CH3) | 22.6 |
| 27 (CH3) | 15.6 |
| 28 (CH3) | 18.6 |
| 29 (CH3) | 30 |
| 30 (CH3) | 29.9 |
