Spektraris NMR
Cucurbitacin IIb
Common Name: Cucurbitacin IIb
Synonyms: Cucurbitacin IIb
CAS Registry Number:
InChI: InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=VVBWBGOEAVGFTN-LPQIEKFGSA-N
Formula: C30H48O7
Molecular Weight: 520.699068
Exact Mass: 520.340004
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mata, R., Rayo Camacho, M.d., Cervera, E., Bye, R., Linares, E. Phytochemistry (1990) 29, 2037-40
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) | 34.6 |
| 2 (CH) | 70.4 |
| 3 (CH) | 81.4 |
| 4 (C) | 42.7 |
| 5 (C) | 142.5 |
| 6 (CH) | 119.7 |
| 7 (CH2) | 24.2 |
| 8 (CH) | 43.2 |
| 9 (C) | 48.7 |
| 10 (CH) | 34.7 |
| 11 (C) | 212.9 |
| 12 (CH2) | 49.3 |
| 13 (C) | 48.8 |
| 14 (C) | 51.5 |
| 15 (CH2) | 46.4 |
| 16 (CH) | 71 |
| 17 (CH) | 58.7 |
| 18 (CH3) | 20.2 |
| 19 (CH3) | 19.2 |
| 20 (C) | 80.1 |
| 21 (CH3) | 25.4 |
| 22 (C) | 215.8 |
| 23 (CH2) | 32.5 |
| 24 (CH2) | 38.4 |
| 25 (C) | 69.1 |
| 26 (CH3) | 30 |
| 27 (CH3) | 29.7 |
| 28 (CH3) | 20.4 |
| 29 (CH3) | 22.4 |
| 30 (CH3) | 20.3 |
