Spektraris NMR
(23E)-3beta-(beta-D-Allopyranosyloxy)-7beta,25-dihydroxycucurbita-5,23-diene-19-al
Common Name: (23E)-3beta-(beta-D-Allopyranosyloxy)-7beta,25-dihydroxycucurbita-5,23-diene-19-al
Synonyms: (23E)-3beta-(beta-D-Allopyranosyloxy)-7beta,25-dihydroxycucurbita-5,23-diene-19-al
CAS Registry Number:
InChI: InChI=1S/C36H58O9/c1-20(9-8-13-32(2,3)43)21-12-14-35(7)30-24(39)17-23-22(36(30,19-38)16-15-34(21,35)6)10-11-26(33(23,4)5)45-31-29(42)28(41)27(40)25(18-37)44-31/h8,13,17,19-22,24-31,37,39-43H,9-12,14-16,18H2,1-7H3/b13-8+/t20-,21-,22-,24+,25-,26+,27-,28-,29-,30+,31+,34-,35+,36-/m1/s1
InChIKey: InChIKey=PRZSJOSZIIULLH-FYZOHYPDSA-N
Formula: C36H58O9
Molecular Weight: 634.8417
Exact Mass: 634.408083
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) | 22.3 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 87 |
| 4 (C) | 41.7 |
| 5 (C) | 145.5 |
| 6 (CH) | 124.1 |
| 7 (CH) | 65.5 |
| 8 (CH) | 50.6 |
| 9 (C) | 50.6 |
| 10 (CH) | 36.8 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 29.2 |
| 13 (C) | 45.6 |
| 14 (C) | 48.1 |
| 15 (CH2) | 34.8 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 50.3 |
| 18 (CH3) | 14.9 |
| 19 (CH) | 207.7 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 39.4 |
| 23 (CH) | 124.1 |
| 24 (CH) | 141.6 |
| 25 (C) | 69.6 |
| 26 (CH3) | 30.7 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 25.7 |
| 30 (CH3) | 18 |
| 1' (CH) | 104.7 |
| 2' (CH) | 73.4 |
| 3' (CH) | 72.1 |
| 4' (CH) | 69 |
| 5' (CH) | 75.7 |
| 6' (CH2) | 63.2 |
