Spektraris NMR
CaseamembrinF
Common Name: CaseamembrinF
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-7-16(3)9-10-24(6)18(5)11-22(28)25(15-27)19(14-26)12-20(13-21(24)25)30-23(29)17(4)8-2/h7,12,14-15,17-18,20-22,28H,1,3,8-11,13H2,2,4-6H3/t17?,18-,20+,21+,22+,24-,25+/m0/s1
InChIKey: InChIKey=UESZYYLGCVWOTQ-QWUBLNBUSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, C.H., Cheng, Y.B., Wang, L.T., Guh, J.H., Chien, C.T., Khalil, A.T. J Nat Prod (2004) 67, 316-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 25.9 |
| 2 (CH) | 64.8 |
| 3 (CH) | 148.4 |
| 4 (C) | 148.6 |
| 5 (C) | 56 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 36.7 |
| 8 (CH) | 35.6 |
| 9 (C) | 37.8 |
| 10 (CH) | 40.4 |
| 11 (CH2) | 32.3 |
| 12 (CH2) | 23.4 |
| 13 (C) | 146.4 |
| 14 (CH) | 139 |
| 15 (CH2) | 112.9 |
| 16 (CH2) | 116.1 |
| 17 (CH3) | 15.3 |
| 18 (CH) | 196.2 |
| 19 (CH) | 202.1 |
| 20 (CH3) | 26 |
| 2a (C) | 175.9 |
| 2b (CH) | 41 |
| 2c (CH2) | 27 |
| 2d (CH3) | 11.7 |
| 2ba (CH3) | 16.5 |
