Spektraris NMR
3beta,7beta,25-Trihydroxycucurbita-5,23-dien-19-al
Common Name: 3beta,7beta,25-Trihydroxycucurbita-5,23-dien-19-al
Synonyms: 3beta,7beta,25-Trihydroxycucurbita-5,23-dien-19-al
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-19(9-8-13-26(2,3)34)20-12-14-29(7)25-23(32)17-22-21(10-11-24(33)27(22,4)5)30(25,18-31)16-15-28(20,29)6/h8,13,17-21,23-25,32-34H,9-12,14-16H2,1-7H3/b13-8+/t19-,20-,21-,23+,24+,25+,28-,29+,30-/m1/s1
InChIKey: InChIKey=DIAXRIQADLDGOJ-TZFKRHLPSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
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) | 21.7 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 75.6 |
| 4 (C) | 41.7 |
| 5 (C) | 145.7 |
| 6 (CH) | 124.2 |
| 7 (CH) | 65.7 |
| 8 (CH) | 50.6 |
| 9 (C) | 50.6 |
| 10 (CH) | 36.9 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 29.4 |
| 13 (C) | 45.7 |
| 14 (C) | 48.2 |
| 15 (CH2) | 34.9 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 15 |
| 19 (CH) | 207.8 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 39.5 |
| 23 (CH) | 124.2 |
| 24 (CH) | 141.7 |
| 25 (C) | 69.7 |
| 26 (CH3) | 30.8 |
| 27 (CH3) | 30.8 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 26.2 |
| 30 (CH3) | 18.2 |
