Spektraris NMR
Petrosaspongiolide R
Common Name: Petrosaspongiolide R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-23(2)11-5-12-25(4)18(23)10-13-24(3)17(16(21(27)28)7-9-19(24)25)8-6-15-14-20(26)30-22(15)29/h6,8,14,16-19,22,29H,5,7,9-13H2,1-4H3,(H,27,28)/b8-6+/t16-,17+,18-,19-,22?,24-,25-/m0/s1
InChIKey: InChIKey=QBUNBRGDEZXPAU-AWZKHZQNSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Randazzo, A., Debitus, C., Minale, L., Garcia Pastor, P., Alcaraz, M.J., Paya, M., Gomez-Paloma, L. J Nat Prod (1998) 61, 571-5
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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) | 41.1 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 43.2 |
| 4 (C) | 34.2 |
| 5 (CH) | 57.9 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 43.2 |
| 8 (C) | 38.8 |
| 9 (CH) | 60.1 |
| 10 (C) | 39 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 31.9 |
| 13 (CH) | 49.8 |
| 14 (CH) | 60.4 |
| 15 (CH) | 146.1 |
| 16 (CH) | 122.9 |
| 17 (C) | 164.4 |
| 18 (CH) | 115.5 |
| 19 (C) | 174.1 |
| 20 (CH3) | 33.8 |
| 21 (CH3) | 21.9 |
| 22 (CH3) | 16.4 |
| 23 (CH3) | 16.9 |
| 24 (C) | 183.5 |
| 25 (CH) | 100.1 |
