Spektraris NMR
Petrosaspongiolide P
Common Name: Petrosaspongiolide P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-23(2)9-5-10-25(4)18(23)8-11-24(3)16-13-17(15-12-20(26)30-22(15)28)29-21(27)14(16)6-7-19(24)25/h12,14,16-19,21-22,27-28H,5-11,13H2,1-4H3/t14-,16+,17+,18-,19-,21?,22?,24-,25-/m0/s1
InChIKey: InChIKey=KBXIJAUSPXZGMP-VPOZUFSHSA-N
Formula: C25H38O5
Molecular Weight: 418.567171
Exact Mass: 418.271924
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 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 43.1 |
| 4 (C) | 34.3 |
| 5 (CH) | 57.8 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 41.6 |
| 8 (C) | 37.7 |
| 9 (CH) | 60.9 |
| 10 (C) | 38.8 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 29.4 |
| 13 (CH) | 41.8 |
| 14 (CH) | 53.5 |
| 15 (CH2) | 30 |
| 16 (CH) | 72.2 |
| 17 (C) | 163.7 |
| 18 (CH) | 117.8 |
| 19 (C) | 173.1 |
| 20 (CH3) | 33.7 |
| 21 (CH3) | 21.8 |
| 22 (CH3) | 16.8 |
| 23 (CH3) | 15.3 |
| 24 (CH) | 101.7 |
| 25 (CH) | 94 |
