Spektraris NMR
Isocucurbitacin R
Common Name: Isocucurbitacin R
Synonyms:
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/h9,17,19-20,23-24,32,35-37H,10-15H2,1-8H3/t17-,19-,20+,23?,24-,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=YQLCUPUXBKOMCZ-KCHVLZLYSA-N
Formula: C30H46O7
Molecular Weight: 518.683186
Exact Mass: 518.324354
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hussein, H.A., Abdel-Halim, O.B., Marwan el, S.M., El-Gamal, A.A., Mosana, R. Phytochemistry (2004) 65, 2551-6
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) | 39.77 |
| 2 (C) | 211.13 |
| 3 (CH) | 80.8 |
| 4 (C) | 47.07 |
| 5 (C) | 138.95 |
| 6 (CH) | 122.17 |
| 7 (CH2) | 24.34 |
| 8 (CH) | 43.66 |
| 9 (C) | 48.5 |
| 10 (CH) | 36.88 |
| 11 (C) | 214.3 |
| 12 (CH2) | 49.79 |
| 13 (C) | 51.11 |
| 14 (C) | 49.2 |
| 15 (CH2) | 45.99 |
| 16 (CH) | 70.74 |
| 17 (CH) | 58.5 |
| 18 (CH3) | 20.2 |
| 19 (CH3) | 19.23 |
| 20 (C) | 80.83 |
| 21 (CH3) | 25.05 |
| 22 (C) | 216.1 |
| 23 (CH2) | 32.34 |
| 24 (CH2) | 37.54 |
| 25 (C) | 70.27 |
| 26 (CH3) | 29.12 |
| 27 (CH3) | 29.04 |
| 28 (CH3) | 21.41 |
| 29 (CH3) | 24.34 |
| 30 (CH3) | 20.27 |
