Spektraris NMR
Cucurbitacin R
Common Name: Cucurbitacin R
Synonyms: Cucurbitacin R
CAS Registry Number:
InChI: InChI=1S/C30H46O7/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/h9,17-20,23,31-32,36-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=ITMUUFDDBRYVNJ-VOKXYEOFSA-N
Formula: C30H46O7
Molecular Weight: 518.683186
Exact Mass: 518.324354
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vande, V., Lavie, D. Tetrahedron (1983) 39, 317
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) | 36 |
| 2 (CH) | 71.6 |
| 3 (C) | 212.4 |
| 4 (C) | 50.3 |
| 5 (C) | 140.5 |
| 6 (CH) | 120.4 |
| 7 (CH2) | 23.9 |
| 8 (CH) | 42.4 |
| 9 (C) | 48.4 |
| 10 (CH) | 33.8 |
| 11 (C) | 213.1 |
| 12 (CH2) | 48.7 |
| 13 (C) | 48.4 |
| 14 (C) | 50.8 |
| 15 (CH2) | 45.4 |
| 16 (CH) | 70.9 |
| 17 (CH) | 57.8 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 18.9 |
| 20 (C) | 79.2 |
| 21 (CH3) | 24.5 |
| 22 (C) | 215.6 |
| 23 (CH2) | 30.9 |
| 24 (CH2) | 37 |
| 25 (C) | 70.3 |
| 26 (CH3) | 28.7 |
| 27 (CH3) | 29.9 |
| 28 (CH3) | 21.3 |
| 29 (CH3) | 29.3 |
| 30 (CH3) | 20 |
