Spektraris NMR
Physanoside A
Common Name: Physanoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-7,12,14-24,26,28-33H,8-10H2,1-4H3/b6-5+/t12-,14-,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1
InChIKey: InChIKey=WDNYAORDIIYQKT-HVVCTIEVSA-N
Formula: C25H40O12
Molecular Weight: 532.578887
Exact Mass: 532.251977
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Qiu, L., Zhao, F., Liu, H., Chen, L., Jiang, Z., Wang, N., Yao, X., Qiu, F. Chem Biodivers (2008) 5, 758-63
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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 (C) | 35.8 |
| 2 (CH2) | 47.3 |
| 3 (C) | 198.1 |
| 4 (CH) | 125 |
| 5 (C) | 162 |
| 6 (CH) | 54.8 |
| 7 (CH) | 128.9 |
| 8 (CH) | 135.1 |
| 9 (CH) | 72.5 |
| 10 (CH3) | 22.1 |
| 11 (CH3) | 27.5 |
| 12 (CH3) | 26.9 |
| 13 (CH3) | 23 |
| 1' (CH) | 100.3 |
| 2' (CH) | 73.2 |
| 3' (CH) | 76.2 |
| 4' (CH) | 70 |
| 5' (CH) | 76.9 |
| 6' (CH2) | 68.13 |
| 1'' (CH) | 103.4 |
| 2'' (CH) | 73.6 |
| 3'' (CH) | 76.9 |
| 4'' (CH) | 70.13 |
| 5'' (CH) | 77 |
| 6'' (CH2) | 61.1 |
