Spektraris NMR
Dendrocyin
Common Name: Dendrocyin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O7/c1-10-38-24-14-22(35)32(9,39-28(24,4)5)25-20(34)15-29(6)21-12-11-17-18(13-19(33)26(37)27(17,2)3)31(21,8)23(36)16-30(25,29)7/h11,18,20-21,24-26,34,37H,10,12-16H2,1-9H3/t18-,20-,21+,24-,25+,26-,29+,30-,31+,32-/m1/s1
InChIKey: InChIKey=GPFCTBZKSDGUFM-ZPJCXYQLSA-N
Formula: C32H48O7
Molecular Weight: 544.720539
Exact Mass: 544.340004
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) | 39.92 |
| 2 (C) | 211.26 |
| 3 (CH) | 80.99 |
| 4 (C) | 47.18 |
| 5 (C) | 139.22 |
| 6 (CH) | 122.26 |
| 7 (CH2) | 24.47 |
| 8 (CH) | 43.87 |
| 9 (C) | 48.7 |
| 10 (CH) | 37.04 |
| 11 (C) | 214.37 |
| 12 (CH2) | 49.49 |
| 13 (C) | 51.4 |
| 14 (C) | 49.37 |
| 15 (CH2) | 46.17 |
| 16 (CH2) | 70.97 |
| 17 (CH) | 58.23 |
| 18 (CH3) | 20.23 |
| 19 (CH3) | 19.3 |
| 20 (C) | 80.22 |
| 21 (CH3) | 24.84 |
| 22 (C) | 214.5 |
| 23 (CH2) | 39.83 |
| 24 (CH) | 83.15 |
| 25 (C) | 73.44 |
| 26 (CH3) | 25.08 |
| 27 (CH3) | 26.48 |
| 28 (CH3) | 21.49 |
| 29 (CH3) | 24.4 |
| 30 (CH3) | 20.46 |
| 24a (CH2) | 68.7 |
| 24b (CH3) | 15.88 |
