Spektraris NMR
Petrosaspongiolide J
Common Name: Petrosaspongiolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O8/c1-16(30)34-22-14-19-18(24-36-25(35-17(2)31)29(22,37-24)15-23(32)33)8-9-21-27(19,5)13-10-20-26(3,4)11-7-12-28(20,21)6/h18-22,24-25H,7-15H2,1-6H3,(H,32,33)/t18-,19+,20-,21-,22+,24-,25-,27-,28-,29?/m0/s1
InChIKey: InChIKey=LKZQUBWXZWHULP-KYUOHLFISA-N
Formula: C29H44O8
Molecular Weight: 520.655974
Exact Mass: 520.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Paloma, L.G., Randazzo, A., Minale, L., Debitus, C., Roussakis, C. Tetrahedron (1997) 53, 10451-8
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) | 39.9 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 39.9 |
| 8 (C) | 37 |
| 9 (CH) | 59.3 |
| 10 (C) | 37.5 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 31 |
| 13 (CH) | 44 |
| 14 (CH) | 45 |
| 15 (CH2) | 26.3 |
| 16 (CH) | 71.8 |
| 17 (C) | 86.6 |
| 18 (CH2) | 35.4 |
| 19 (C) | 172.7 |
| 20 (CH3) | 33.3 |
| 21 (CH3) | 21.4 |
| 22 (CH3) | 15.2 |
| 23 (CH3) | 16.1 |
| 24 (CH) | 11.3 |
| 25 (CH) | 94 |
| 16a (C) | 170.2 |
| 16b (CH3) | 21.2 |
| 25a (C) | 169.9 |
| 25b (CH3) | 20.9 |
