Spektraris NMR
Salvimirzacolide
Common Name: Salvimirzacolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-16(7-9-18-17(2)15-21(26)30-18)8-10-20-23(3)12-6-13-24(4,22(27)28)19(23)11-14-25(20,5)29/h7,15,18-20,29H,6,8-14H2,1-5H3,(H,27,28)/b16-7+/t18-,19-,20-,23+,24-,25-/m1/s1
InChIKey: InChIKey=IYKWRWFFFLJWCZ-UOIPBLJYSA-N
Formula: C25H38O5
Molecular Weight: 418.567171
Exact Mass: 418.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moghaddam, F.M., Amiri, R., Alam, M., Hossain, M.B., van der Helm, D. J Nat Prod (1998) 61, 279-81
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 38.3 |
| 2 (CH2) | 17.3 |
| 3 (CH2) | 36.7 |
| 4 (C) | 47.1 |
| 5 (CH) | 50 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 43.7 |
| 8 (C) | 74.2 |
| 9 (CH) | 60.9 |
| 10 (C) | 38.3 |
| 11 (CH2) | 23.1 |
| 12 (CH2) | 42.9 |
| 13 (C) | 140.9 |
| 14 (CH) | 117.3 |
| 15 (CH2) | 30.2 |
| 16 (CH) | 84.3 |
| 17 (C) | 168.3 |
| 18 (CH) | 116 |
| 19 (C) | 173.3 |
| 20 (CH3) | 13.9 |
| 21 (CH3) | 16.4 |
| 22 (CH3) | 23.7 |
| 23 (C) | 184.1 |
| 24 (CH3) | 15.75 |
| 25 (CH3) | 16.05 |
