Spektraris NMR
Spicachlorantins F
Common Name: Spicachlorantins F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H36O11/c1-11(27(37)38)22-23-25-30(4,26(36)24(22)35)19-7-20(19)31(25,43-40)8-21-29(3)16-5-13(16)15(10-41-12(2)34)17(29)6-18-14(9-33)28(39)42-32(18,21)23/h13,15-17,19-21,26,33,36,40H,5-10H2,1-4H3,(H,37,38)/b22-11-/t13-,15-,16-,17+,19-,20+,21+,26+,29+,30+,31+,32+/m1/s1
InChIKey: InChIKey=HMVAEORRRGLSGB-UVVUTUPKSA-N
Formula: C32H36O11
Molecular Weight: 596.62287
Exact Mass: 596.225762
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) | 25.8 |
| 2 (CH2) | 8.1 |
| 3 (CH) | 27.8 |
| 4 (C) | 900.8 |
| 5 (C) | 158.4 |
| 6 (C) | 126.9 |
| 7 (C) | 143 |
| 8 (C) | 198.9 |
| 9 (CH) | 77.8 |
| 10 (C) | 50.2 |
| 11 (C) | 128.9 |
| 12 (C) | 170.2 |
| 13 (CH3) | 21.3 |
| 14 (CH3) | 15.3 |
| 15 (CH2) | 36.4 |
| 1' (CH) | 26.3 |
| 2' (CH2) | 16.4 |
| 3' (CH) | 22.5 |
| 4' (CH) | 44.4 |
| 5' (CH) | 53.4 |
| 6' (CH2) | 25.5 |
| 7' (C) | 166.2 |
| 8' (C) | 87.6 |
| 9' (CH) | 52.1 |
| 10' (C) | 44 |
| 11' (C) | 128 |
| 12' (C) | 172.7 |
| 13' (CH2) | 55 |
| 14' (CH3) | 22.6 |
| 15' (CH2) | 65.8 |
| 15'a (C) | 171.5 |
| 15'b (CH3) | 20.6 |
