Spektraris NMR
Spicachlorantins C
Common Name: Spicachlorantins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H44O15/c1-16-8-9-51-26(41)6-7-27(42)52-14-18-19-12-24-36(3,20-10-22(20)38(24,48)15-53-33(16)45)25-13-39(55-49)23-11-21(23)37(4)31(39)29(40(19,25)54-35(18)47)28(30(43)32(37)44)17(2)34(46)50-5/h8,20-25,32,44,48-49H,6-7,9-15H2,1-5H3/b16-8+,28-17-/t20-,21-,22+,23+,24-,25+,32+,36+,37+,38+,39+,40+/m1/s1
InChIKey: InChIKey=IUVYLSGQSDYTSW-SOGHIHTMSA-N
Formula: C40H44O15
Molecular Weight: 764.769903
Exact Mass: 764.268021
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) | 27.7 |
| 4 (C) | 90.5 |
| 5 (C) | 158.4 |
| 6 (C) | 126.7 |
| 7 (C) | 142.5 |
| 8 (C) | 199 |
| 9 (CH) | 77.8 |
| 10 (C) | 50.1 |
| 11 (C) | 129.5 |
| 12 (C) | 169.4 |
| 13 (CH3) | 20.7 |
| 14 (CH3) | 15.1 |
| 15 (CH2) | 36.8 |
| 1' (CH) | 27.3 |
| 2' (CH2) | 10.1 |
| 3' (CH) | 28.6 |
| 4' (C) | 77.1 |
| 5' (CH) | 56.9 |
| 6' (CH2) | 23.5 |
| 7' (C) | 172.4 |
| 8' (C) | 87.1 |
| 9' (CH) | 52.5 |
| 10' (C) | 45.4 |
| 11' (C) | 124.7 |
| 12' (C) | 171.9 |
| 13' (CH2) | 54 |
| 14' (CH3) | 23.8 |
| 15' (CH2) | 73.2 |
| 1'' (C) | 166.7 |
| 2'' (C) | 129.4 |
| 3'' (CH) | 135.6 |
| 4'' (CH2) | 61.3 |
| 5'' (CH3) | 12.8 |
| 6'' (C) | 171.7 |
| 7'' (CH2) | 29.2 |
| 8'' (CH2) | 28.7 |
| 9'' (C) | 171.7 |
| 12a (CH3) | 52.5 |
