Spektraris NMR
22,25-Dihydroxycycloart-23E-en-3-one
Common Name: 22,25-Dihydroxycycloart-23E-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(21(31)11-13-25(2,3)33)20-10-14-28(7)23-9-8-22-26(4,5)24(32)12-15-29(22)18-30(23,29)17-16-27(20,28)6/h11,13,19-23,31,33H,8-10,12,14-18H2,1-7H3/b13-11+/t19-,20+,21?,22-,23-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=FGKUHDXMDDMVEC-RNWKAILJSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lago J.H., Roque N.F. Phytochemistry (2002) 60, 329-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 33.4 |
| 2 (CH2) | 37.4 |
| 3 (C) | 216.5 |
| 4 (C) | 50.2 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 47.8 |
| 9 (C) | 21.1 |
| 10 (C) | 26 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 35.7 |
| 13 (C) | 45.7 |
| 14 (C) | 48.4 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 26.7 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 18.2 |
| 19 (CH2) | 29.5 |
| 20 (CH) | 42.4 |
| 21 (CH3) | 12 |
| 22 (CH) | 74.4 |
| 23 (CH) | 125.3 |
| 24 (CH) | 140.5 |
| 25 (C) | 70.8 |
| 26 (CH3) | 30.1 |
| 27 (CH3) | 29.9 |
| 28 (CH3) | 22.2 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 19.3 |
