Spektraris NMR
(23E)-3b-Hydroxy-7b-methoxycucurbita-5,23,25-trien-19-al
Common Name: (23E)-3b-Hydroxy-7b-methoxycucurbita-5,23,25-trien-19-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O3/c1-20(2)10-9-11-21(3)22-14-15-30(7)27-25(34-8)18-24-23(12-13-26(33)28(24,4)5)31(27,19-32)17-16-29(22,30)6/h9-10,18-19,21-23,25-27,33H,1,11-17H2,2-8H3/b10-9+/t21-,22-,23-,25+,26+,27+,29-,30+,31-/m1/s1
InChIKey: InChIKey=WZZAXQGYJDXEDP-UJBPRPQUSA-N
Formula: C31H48O3
Molecular Weight: 468.712184
Exact Mass: 468.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kimura, Y., Akihisa, T., Yuasa, N., Ukiya, M., Suzuki, T., Toriyama, M., Motohashi, S., Tokuda, H. J Nat Prod (2005) 68, 807-9
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) | 21.6 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 75.6 |
| 4 (C) | 42 |
| 5 (C) | 147.7 |
| 6 (CH) | 121.1 |
| 7 (CH) | 75.7 |
| 8 (CH) | 45.8 |
| 9 (C) | 50.3 |
| 10 (CH) | 36.7 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 29.3 |
| 13 (C) | 45.9 |
| 14 (C) | 48 |
| 15 (CH2) | 35.1 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 15 |
| 19 (CH) | 207.2 |
| 20 (CH) | 36.8 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 40.1 |
| 23 (CH) | 129.7 |
| 24 (CH) | 134.8 |
| 25 (C) | 142.5 |
| 26 (CH2) | 114.7 |
| 27 (CH3) | 19 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 18.3 |
| 30 (CH3) | 26.2 |
| 7a (CH3) | 55.9 |
