Spektraris NMR
3b ,25-Dihydroxy-7b -methoxycucurbita-5,23(E)-diene
Common Name: 3b ,25-Dihydroxy-7b -methoxycucurbita-5,23(E)-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-20(11-10-15-27(2,3)33)21-14-16-31(8)26-24(34-9)19-23-22(12-13-25(32)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=DOXNRZCBQJYCBO-SRZVJSNHSA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Tanaka, M., Takaoka, S., Oda, M., Mogami, O., Uchida, M., Asakawa, Y. Chem Pharm Bull (2006) 54, 1017-21
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) | 21 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 77.2 |
| 4 (C) | 41.7 |
| 5 (C) | 146.7 |
| 6 (CH) | 120.9 |
| 7 (CH) | 76.7 |
| 8 (CH) | 47.8 |
| 9 (C) | 33.9 |
| 10 (CH) | 38.6 |
| 11 (CH2) | 32.6 |
| 12 (CH2) | 29.8 |
| 13 (C) | 46 |
| 14 (C) | 47.9 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 28.7 |
| 20 (CH) | 36.2 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 39 |
| 23 (CH) | 125.2 |
| 24 (CH) | 139.4 |
| 25 (C) | 70.7 |
| 26 (CH3) | 30 |
| 27 (CH3) | 29.9 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 25.3 |
| 30 (CH3) | 17.9 |
| 7a (CH3) | 56.2 |
