Spektraris NMR
Spicachlorantins E
Common Name: Spicachlorantins E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O13/c1-8-15(2)31(42)49-14-36(45)22-9-20(22)34(5)24(36)11-19-18(13-48-17(4)39)33(44)50-38(19)25(34)12-37(51-46)23-10-21(23)35(6)29(37)27(38)26(28(40)30(35)41)16(3)32(43)47-7/h8,20-25,30,41,45-46H,9-14H2,1-7H3/b15-8+,26-16-/t20-,21-,22+,23+,24-,25+,30+,34+,35+,36+,37+,38+/m1/s1
InChIKey: InChIKey=LVPHJFOILPDRBN-PVTPHBDQSA-N
Formula: C38H44O13
Molecular Weight: 708.749621
Exact Mass: 708.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, S.Y., Kashiwada, Y., Kawazoe, K., Murakami, K., Sun, H.D., Li, S.L., Takaishi, Y. Tetrahedron Lett (2009) 50, 6032-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lindenanes; 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 (CH) | 26 |
| 2 (CH2) | 8.1 |
| 3 (CH) | 27.6 |
| 4 (C) | 90.5 |
| 5 (C) | 158.5 |
| 6 (C) | 126.8 |
| 7 (C) | 142.9 |
| 8 (C) | 198.7 |
| 9 (CH) | 77.8 |
| 10 (C) | 50.1 |
| 11 (C) | 129 |
| 12 (C) | 169.6 |
| 13 (CH3) | 21 |
| 14 (CH3) | 15.2 |
| 15 (CH2) | 36.7 |
| 1' (CH) | 27.3 |
| 2' (CH2) | 10.3 |
| 3' (CH) | 29.2 |
| 4' (C) | 77.5 |
| 5' (CH) | 54.8 |
| 6' (CH2) | 22.4 |
| 7' (C) | 170.2 |
| 8' (C) | 87.2 |
| 9' (CH) | 52.4 |
| 10' (C) | 45.1 |
| 11' (C) | 125 |
| 12' (C) | 171.5 |
| 13' (CH2) | 55.1 |
| 14' (CH3) | 24 |
| 15' (CH2) | 70.7 |
| 1'' (C) | 168.1 |
| 2'' (C) | 127.9 |
| 3'' (CH) | 138.9 |
| 4'' (CH3) | 14.6 |
| 5'' (CH3) | 12.1 |
| 12a (CH3) | 52.6 |
| 12'a (C) | 20.4 |
| 12'b (CH3) | 170.4 |
