Spektraris NMR
(23E)-25-methoxycycloart-23-en-3-one
Common Name: (23E)-25-methoxycycloart-23-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O2/c1-21(10-9-15-26(2,3)33-8)22-13-16-29(7)24-12-11-23-27(4,5)25(32)14-17-30(23)20-31(24,30)19-18-28(22,29)6/h9,15,21-24H,10-14,16-20H2,1-8H3/b15-9+/t21-,22-,23+,24+,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=XASFOBZZSCUJSN-AOALMXJHSA-N
Formula: C31H50O2
Molecular Weight: 454.72866
Exact Mass: 454.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cabrera, G.M., Gallo, M., Seldes, A.M. J Nat Prod (1996) 59, 343-7
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) | 37.5 |
| 3 (C) | 216.5 |
| 4 (C) | 50.2 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 25.8 |
| 8 (CH) | 47.9 |
| 9 (C) | 21.1 |
| 10 (C) | 26 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 32.7 |
| 13 (C) | 45.4 |
| 14 (C) | 48.7 |
| 15 (CH2) | 35.6 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.5 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 39.3 |
| 23 (CH) | 128.6 |
| 24 (CH) | 136.7 |
| 25 (C) | 74.9 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 22.2 |
| 29 (CH3) | 19.3 |
| 30 (CH3) | 20.8 |
| 25a (CH3) | 50.2 |
