Spektraris NMR
Caseamembrin M
Common Name: Caseamembrin M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H48O9/c1-10-13-28(36)41-27-16-21(6)32(9,15-14-19(4)11-2)26-18-24(40-29(37)20(5)12-3)17-25-30(38-22(7)34)42-31(33(25,26)27)39-23(8)35/h11,17,20-21,24,26-27,30-31H,2,4,10,12-16,18H2,1,3,5-9H3/t20?,21-,24+,26+,27+,30+,31-,32-,33-/m0/s1
InChIKey: InChIKey=AELPJSZDZHHLQC-JUVNTAARSA-N
Formula: C33H48O9
Molecular Weight: 588.730085
Exact Mass: 588.329833
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Cheng, Y.B., Ahmed, A.F., Lee, C.L., Chen, S.Y., Chien, C.T., Kuo, Y.H., Tzeng, G.L. J Nat Prod (2005) 68, 1665-8
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) | 26.7 |
| 2 (CH) | 66 |
| 3 (CH) | 123.1 |
| 4 (C) | 144.3 |
| 5 (C) | 52.1 |
| 6 (CH) | 73.5 |
| 7 (CH2) | 33 |
| 8 (CH) | 37.1 |
| 9 (C) | 37.3 |
| 10 (CH) | 36.8 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 23.7 |
| 13 (C) | 145 |
| 14 (CH) | 140.4 |
| 15 (CH2) | 112.2 |
| 16 (CH2) | 115.5 |
| 17 (CH3) | 15.5 |
| 18 (CH) | 95.1 |
| 19 (CH) | 98.2 |
| 20 (CH3) | 25.5 |
| 2a (C) | 175.8 |
| 2b (CH) | 41.1 |
| 2c (CH2) | 27 |
| 2d (CH3) | 11.6 |
| 2ba (CH3) | 16.6 |
| 6a (C) | 173 |
| 6b (CH2) | 36.6 |
| 6c (CH2) | 18.2 |
| 6d (CH3) | 13.6 |
| 18a (C) | 169.9 |
| 18b (CH3) | 21.2 |
| 19a (C) | 170 |
| 19b (CH3) | 21.5 |
