Spektraris NMR
Halorosellinic
Common Name: Halorosellinic
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/c1-13-5-6-17-18(24(30)31)7-8-20-16(9-10-25(20,4)12-19(13)17)15(3)22(27)21(26)11-14(2)23(28)29/h7,9,11,13,15,17,19-22,26-27H,5-6,8,10,12H2,1-4H3,(H,28,29)(H,30,31)/b14-11+,18-7+/t13-,15-,17-,19-,20-,21+,22-,25+/m1/s1
InChIKey: InChIKey=XHFDLHDZJBWKEA-MHHINBIQSA-N
Formula: C25H36O6
Molecular Weight: 432.550694
Exact Mass: 432.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chinworrungsee, M., P.Kittakoop, Isaka, M., Rungrod, A., Tanticharoen, M., Thebtaranonth, Y. Bioorg Med Chem Lett (2001) 11, 1965-9
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Ophiobolanes; 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) | 35.4 |
| 2 (CH) | 43.7 |
| 3 (CH) | 35.9 |
| 4 (CH2) | 31.6 |
| 5 (CH2) | 26.3 |
| 6 (CH) | 38.4 |
| 7 (C) | 136.2 |
| 8 (CH) | 131.6 |
| 9 (CH2) | 25.2 |
| 10 (CH) | 46.3 |
| 11 (C) | 43.2 |
| 12 (CH2) | 43.6 |
| 13 (CH) | 118.8 |
| 14 (C) | 146.1 |
| 15 (CH) | 32.1 |
| 16 (CH) | 73.3 |
| 17 (CH) | 66.2 |
| 18 (CH) | 137.3 |
| 19 (C) | 128.1 |
| 20 (CH3) | 12.1 |
| 21 (C) | 169.2 |
| 22 (CH3) | 22 |
| 23 (CH3) | 13.4 |
| 24 (CH3) | 10.5 |
| 25 (C) | 167.4 |
