Spektraris NMR
3beta-(1,3-Dioxo-3-hydroxypropyloxy)-7beta,23-dihydroxycucurbita-5,24-diene-19-al
Common Name: 3beta-(1,3-Dioxo-3-hydroxypropyloxy)-7beta,23-dihydroxycucurbita-5,24-diene-19-al
Synonyms: 3beta-(1,3-Dioxo-3-hydroxypropyloxy)-7beta,23-dihydroxycucurbita-5,24-diene-19-al
CAS Registry Number:
InChI: InChI=1S/C33H50O7/c1-19(2)14-21(35)15-20(3)22-10-11-32(7)29-25(36)16-24-23(33(29,18-34)13-12-31(22,32)6)8-9-26(30(24,4)5)40-28(39)17-27(37)38/h14,16,18,20-23,25-26,29,35-36H,8-13,15,17H2,1-7H3,(H,37,38)/t20-,21?,22-,23-,25+,26+,29+,31-,32+,33-/m1/s1
InChIKey: InChIKey=FBVRGVBJFOCJIL-BFIZBSEMSA-N
Formula: C33H50O7
Molecular Weight: 558.747157
Exact Mass: 558.355654
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mekuria, D.B., Kashiwagi, T., Tebayashi, S., Kim, C.S. Biosci Biotechnol Biochem (2005) 69, 1706-10
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) | 21.64 |
| 2 (CH2) | 27.89 |
| 3 (CH) | 79.36 |
| 4 (C) | 39.86 |
| 5 (C) | 143.58 |
| 6 (CH) | 124.38 |
| 7 (CH) | 65.17 |
| 8 (CH) | 49.42 |
| 9 (C) | 50.36 |
| 10 (CH) | 36.09 |
| 11 (CH2) | 22.38 |
| 12 (CH2) | 29.27 |
| 13 (C) | 45.69 |
| 14 (C) | 48.04 |
| 15 (CH2) | 34.59 |
| 16 (CH2) | 26.04 |
| 17 (CH) | 50.94 |
| 18 (CH3) | 14.77 |
| 19 (CH) | 207.13 |
| 20 (CH) | 32.65 |
| 21 (CH3) | 18.61 |
| 22 (CH2) | 45.15 |
| 23 (CH) | 64.87 |
| 24 (CH) | 131.55 |
| 25 (C) | 130.52 |
| 26 (CH3) | 25.58 |
| 27 (CH3) | 17.89 |
| 28 (CH3) | 26.78 |
| 29 (CH3) | 24.95 |
| 30 (CH3) | 17.88 |
| 3a (C) | 167.15 |
| 3b (CH2) | 42.73 |
| 3c (C) | 169.45 |
