Spektraris NMR
Syphonosideol
Common Name: Syphonosideol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O12/c1-17-10-12-41-23(34)14-30(3,40)15-24(35)42-16-20-25(36)26(37)27(38)29(43-20)44-28(39)19-7-6-8-21-31(19,4)11-9-18(2)32(21,5)22(33)13-17/h7,10,18,20-22,25-27,29,33,36-38,40H,6,8-9,11-16H2,1-5H3/b17-10+/t18-,20-,21+,22-,25-,26+,27-,29+,30-,31+,32+/m1/s1
InChIKey: InChIKey=BKGDPZULOBLOGK-DLEQMDBZSA-N
Formula: C32H48O12
Molecular Weight: 624.717564
Exact Mass: 624.314577
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carbone, M., Gavagnin, M., Mollo, E., Bidello, M., Roussis, V., Cimino, G. Tetrahedron (2008) 64, 191-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.6 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 139.4 |
| 4 (C) | 142.4 |
| 5 (C) | 37.5 |
| 6 (CH2) | 35.2 |
| 7 (CH2) | 28.3 |
| 8 (CH) | 34.4 |
| 9 (C) | 44.3 |
| 10 (CH) | 45.2 |
| 11 (CH) | 74.3 |
| 12 (CH2) | 45.2 |
| 13 (C) | 139.6 |
| 14 (CH) | 121.8 |
| 15 (CH2) | 61.5 |
| 16 (CH3) | 16.2 |
| 17 (CH3) | 18.6 |
| 18 (C) | 167.5 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 12.5 |
| 1' (CH) | 94.5 |
| 2' (CH) | 73.1 |
| 3' (CH) | 76.8 |
| 4' (CH) | 69.9 |
| 5' (CH) | 74.5 |
| 6' (CH2) | 62.2 |
| 1'' (C) | 172.4 |
| 2'' (CH2) | 44 |
| 3'' (C) | 69.9 |
| 4'' (CH2) | 47.1 |
| 5'' (C) | 170.6 |
| 6'' (CH3) | 27 |
