Spektraris NMR
Petrosaspongiolide Q
Common Name: Petrosaspongiolide Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O7/c1-15(28)32-14-25(2)9-5-10-27(4)20(25)8-11-26(3)18-13-19(17-12-22(29)34-24(17)31)33-23(30)16(18)6-7-21(26)27/h12,16,18-21,23-24,30-31H,5-11,13-14H2,1-4H3/t16-,18+,19+,20-,21-,23?,24?,25+,26-,27-/m0/s1
InChIKey: InChIKey=YKDMAPXQYQSVFF-WVIOGYPLSA-N
Formula: C27H40O7
Molecular Weight: 476.603334
Exact Mass: 476.277404
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) | 40.6 |
| 2 (CH2) | 20.8 |
| 3 (CH2) | 37.4 |
| 4 (C) | 37.6 |
| 5 (CH) | 58.4 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 42 |
| 8 (C) | 36.6 |
| 9 (CH) | 61.1 |
| 10 (C) | 38.2 |
| 11 (CH2) | 61.1 |
| 12 (CH2) | 19.2 |
| 13 (CH) | 41 |
| 14 (CH) | 53.7 |
| 15 (CH2) | 29.6 |
| 16 (CH) | 72.1 |
| 17 (C) | 166.1 |
| 18 (CH) | 117.8 |
| 19 (C) | 173 |
| 20 (CH3) | 27.6 |
| 21 (CH2) | 68.3 |
| 22 (CH3) | 15.4 |
| 23 (CH3) | 17.3 |
| 24 (CH) | 101.9 |
| 25 (CH) | 95.8 |
| 21a (C) | 173.3 |
| 21b (CH3) | 20.8 |
