Spektraris NMR
Caseamembrin T
Common Name: Caseamembrin T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O8/c1-8-10-24(32)35-20-14-21-25(33-18(5)29)36-26(34-19(6)30)28(21)22(15-20)27(7,12-11-16(3)9-2)17(4)13-23(28)31/h9,14,17,20,22-23,25-26,31H,2-3,8,10-13,15H2,1,4-7H3/t17-,20+,22+,23+,25+,26-,27-,28+/m0/s1
InChIKey: InChIKey=OYLJTRVIXSOCPW-LUISTOLGSA-N
Formula: C28H40O8
Molecular Weight: 504.613475
Exact Mass: 504.272318
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) | 66.2 |
| 3 (CH) | 121.8 |
| 4 (C) | 145.1 |
| 5 (C) | 53.7 |
| 6 (CH) | 73.1 |
| 7 (CH2) | 36.5 |
| 8 (CH) | 37.1 |
| 9 (C) | 36.5 |
| 10 (CH) | 37.4 |
| 11 (CH2) | 28.1 |
| 12 (CH2) | 23.8 |
| 13 (C) | 145.3 |
| 14 (CH) | 140.4 |
| 15 (CH2) | 112.3 |
| 16 (CH2) | 115.4 |
| 17 (CH3) | 15.7 |
| 18 (CH) | 95.6 |
| 19 (CH) | 97.9 |
| 20 (CH3) | 25.3 |
| 2a (C) | 173.1 |
| 2b (CH2) | 36.5 |
| 2c (CH2) | 18.7 |
| 2d (CH3) | 13.6 |
| 18a (C) | 169.8 |
| 18b (CH3) | 21.2 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21.4 |
