Spektraris NMR
Caseamembrin S
Common Name: Caseamembrin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O8/c1-8-15(3)10-11-26(7)16(4)12-22(30)27-20(13-19(14-21(26)27)34-23(31)9-2)24(32-17(5)28)35-25(27)33-18(6)29/h8,13,16,19,21-22,24-25,30H,1,3,9-12,14H2,2,4-7H3/t16-,19+,21+,22+,24+,25-,26-,27+/m0/s1
InChIKey: InChIKey=NJOZTRHBLQOIOT-JZWADEPHSA-N
Formula: C27H38O8
Molecular Weight: 490.586857
Exact Mass: 490.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.Y., Cheng, Y.B., Chen, S.Y., Chien, C.T., Kuo, Y.H., Guh, J.H., Khalil, A.T., Shen, Y.C. Chem Biodivers (2008) 5, 162-7
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) | 26.9 |
| 2 (CH) | 66.1 |
| 3 (CH) | 121.8 |
| 4 (C) | 145.2 |
| 5 (C) | 53.6 |
| 6 (CH) | 73.1 |
| 7 (CH2) | 37.1 |
| 8 (CH) | 36.5 |
| 9 (C) | 36.2 |
| 10 (CH) | 37.3 |
| 11 (CH2) | 28 |
| 12 (CH2) | 23.7 |
| 13 (C) | 145.1 |
| 14 (CH) | 140.3 |
| 15 (CH2) | 112.4 |
| 16 (CH2) | 115.5 |
| 17 (CH3) | 15.7 |
| 18 (CH) | 95.6 |
| 19 (CH) | 97.8 |
| 20 (CH3) | 25.4 |
| 2a (C) | 173.9 |
| 2b (CH2) | 27.9 |
| 2c (CH3) | 9.2 |
| 18a (C) | 169.9 |
| 18b (CH3) | 21.5 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21.2 |
