Spektraris NMR
Isosilvaglin A
Common Name: Isosilvaglin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)21-12-15-28(6)22(30(21,8)20(17-31)24(25)32)10-9-18-19(11-14-27(18,28)5)29(7)16-13-23(34-29)26(3,4)33/h17-23,33H,9-16H2,1-8H3/t18-,19+,20-,21+,22+,23+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=XUBCPPZSYPOGOB-FJIAHDQCSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pointinger, S., Promdang, S., Vajrodaya, S., Pannell, C.M., Hofer, O., Mereiter, K., Greger, H. Phytochemistry (2008) 69, 2696-703
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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 (CH) | 75.6 |
| 2 (CH) | 200.9 |
| 3 (C) | 217.5 |
| 4 (C) | 46.2 |
| 5 (CH) | 59.4 |
| 6 (CH2) | 17.2 |
| 7 (CH2) | 34.5 |
| 8 (C) | 41.6 |
| 9 (CH) | 50.1 |
| 10 (C) | 47.1 |
| 11 (CH2) | 24.8 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 42.6 |
| 14 (C) | 50 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 25.6 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 15.5 |
| 20 (C) | 86.2 |
| 21 (CH3) | 21.6 |
| 22 (CH2) | 37.5 |
| 23 (CH2) | 25.7 |
| 24 (CH) | 84.4 |
| 25 (C) | 71.1 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 21 |
| 30 (CH3) | 15.9 |
