Spektraris NMR
Petrosaspongiolide K
Common Name: Petrosaspongiolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O3/c1-22(2)9-5-10-24(4)19(22)8-11-23(3)17-14-18(25)16(13-21(26)27)12-15(17)6-7-20(23)24/h12,15,17,19-20H,5-11,13-14H2,1-4H3,(H,26,27)/t15-,17-,19+,20+,23+,24+/m1/s1
InChIKey: InChIKey=PRNTZJVEEUQNTM-OHEJWXFFSA-N
Formula: C24H36O3
Molecular Weight: 372.541743
Exact Mass: 372.266445
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 : Scalaranes; 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) | 39.7 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42 |
| 4 (C) | 33 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 39.8 |
| 8 (C) | 36.8 |
| 9 (CH) | 59.2 |
| 10 (C) | 37.5 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 32.8 |
| 13 (CH) | 36.9 |
| 14 (CH) | 54.3 |
| 15 (CH2) | 37.6 |
| 16 (C) | 201.3 |
| 17 (C) | 131.4 |
| 18 (CH2) | 36.2 |
| 19 (C) | 174 |
| 20 (CH3) | 33 |
| 21 (CH3) | 21 |
| 22 (CH3) | 16.3 |
| 23 (CH3) | 15.4 |
| 24 (CH) | 155 |
