Spektraris NMR
Petrosaspongiolide N
Common Name: Petrosaspongiolide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O8/c1-16(30)34-15-27(3)10-6-11-29(5)22(27)9-12-28(4)20-14-21(19-13-24(32)37-25(19)33)36-26(35-17(2)31)18(20)7-8-23(28)29/h13,18,20-23,25-26,33H,6-12,14-15H2,1-5H3/t18-,20+,21+,22-,23-,25?,26+,27+,28-,29-/m0/s1
InChIKey: InChIKey=ZSDRTHXMHGHLMW-VEIQJVNDSA-N
Formula: C29H42O8
Molecular Weight: 518.640092
Exact Mass: 518.287968
NMR Solvent: CDCl3
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) | 39.9 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 36.6 |
| 4 (C) | 37 |
| 5 (CH) | 57.2 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 40.7 |
| 8 (C) | 37.1 |
| 9 (CH) | 59.6 |
| 10 (C) | 37.5 |
| 11 (CH2) | 19.7 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 46.3 |
| 14 (CH) | 37.5 |
| 15 (CH2) | 28.4 |
| 16 (CH) | 67.2 |
| 17 (C) | 166.7 |
| 18 (CH) | 118 |
| 19 (C) | 172.1 |
| 20 (CH3) | 27.3 |
| 21 (CH2) | 66.9 |
| 22 (CH3) | 14.5 |
| 23 (CH3) | 16.9 |
| 24 (CH) | 93.7 |
| 25 (CH) | 97 |
| 21a (C) | 170.6 |
| 21b (CH3) | 21.1 |
| 24a (C) | 171.3 |
| 24b (CH3) | 20.9 |
