Spektraris NMR
(23E)-25-Methoxycucurbita-5,23-diene-3beta,7beta-diol
Common Name: (23E)-25-Methoxycucurbita-5,23-diene-3beta,7beta-diol
Synonyms: (23E)-25-Methoxycucurbita-5,23-diene-3beta,7beta-diol
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-20(11-10-15-27(2,3)34-9)21-14-16-31(8)26-24(32)19-23-22(12-13-25(33)28(23,4)5)29(26,6)17-18-30(21,31)7/h10,15,19-22,24-26,32-33H,11-14,16-18H2,1-9H3/b15-10+/t20-,21-,22-,24+,25+,26-,29+,30-,31+/m1/s1
InChIKey: InChIKey=JITGKINHLQAZRO-SRZVJSNHSA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.I., Chen, C.R., Liao, Y.W., Cheng, H.L., Chen, Y.C., Chou, C.H. J Nat Prod (2006) 69, 1168-71
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 20.9 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 76.7 |
| 4 (C) | 41.5 |
| 5 (C) | 146.8 |
| 6 (CH) | 122.6 |
| 7 (CH) | 68.2 |
| 8 (CH) | 53.2 |
| 9 (C) | 33.9 |
| 10 (CH) | 38.5 |
| 11 (CH2) | 32.4 |
| 12 (CH2) | 30 |
| 13 (C) | 45.9 |
| 14 (C) | 48.2 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 29.5 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 39.4 |
| 23 (CH) | 128.5 |
| 24 (CH) | 136.7 |
| 25 (C) | 74.8 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 25.4 |
| 30 (CH3) | 17.7 |
| 25a (CH3) | 50.2 |
