Spektraris NMR
21-Hydroxy-petrosaspongiolide K
Common Name: 21-Hydroxy-petrosaspongiolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O4/c1-22(14-25)8-4-9-24(3)19(22)7-10-23(2)17-13-18(26)16(12-21(27)28)11-15(17)5-6-20(23)24/h11,15,17,19-20,25H,4-10,12-14H2,1-3H3,(H,27,28)/t15-,17-,19+,20+,22-,23+,24+/m1/s1
InChIKey: InChIKey=CHJONXUANHYMAN-DAYLKHQRSA-N
Formula: C24H36O4
Molecular Weight: 388.541148
Exact Mass: 388.26136
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - De Marino, S., Iorizzi, M., Zollo, F., Debitus, C., Menou, J.L., Ospina, L.F., Alcaraz, M.J., Paya, M. J Nat Prod (2000) 63, 322-6
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) | 41.3 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 36.8 |
| 4 (C) | 40 |
| 5 (CH) | 58.8 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 41.6 |
| 8 (C) | 37.8 |
| 9 (CH) | 61 |
| 10 (C) | 38.6 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 34.1 |
| 13 (CH) | 38.2 |
| 14 (CH) | 55.7 |
| 15 (CH2) | 38.6 |
| 16 (C) | 202.8 |
| 17 (C) | 135.4 |
| 18 (CH2) | 38.7 |
| 19 (C) | 178.5 |
| 20 (CH3) | 27.8 |
| 21 (CH2) | 65 |
| 22 (CH3) | 17.6 |
| 23 (CH3) | 15.7 |
| 24 (CH) | 154.4 |
