Spektraris NMR
Macrocarpal H
Common Name: Macrocarpal H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18?,21+,22+,28+/m1/s1
InChIKey: InChIKey=OOAOETHJYYAVCC-XWWMBYKISA-N
Formula: C28H40O6
Molecular Weight: 472.614665
Exact Mass: 472.282489
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Osawa, K., Yasuda, H., Morita, H., Takeya, K., Itokawa, H. J Nat Prod (1996) 59, 823-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 53.8 |
| 2 (CH2) | 27.6 |
| 3 (CH2) | 37.9 |
| 4 (C) | 152.1 |
| 5 (CH) | 51.8 |
| 6 (CH2) | 25.8 |
| 7 (CH) | 49.7 |
| 8 (CH2) | 23.4 |
| 9 (CH2) | 38 |
| 10 (C) | 41.5 |
| 11 (C) | 71.4 |
| 12 (CH3) | 27.3 |
| 13 (CH3) | 28.2 |
| 14 (CH3) | 12.2 |
| 15 (CH2) | 105.1 |
| 1' (CH) | 30.3 |
| 2' (C) | 113.8 |
| 3' (C) | 171.1 |
| 4' (C) | 107.2 |
| 5' (C) | 171.1 |
| 6' (C) | 106.6 |
| 7' (C) | 169 |
| 1'a (CH2) | 39.4 |
| 1'b (CH) | 26.9 |
| 1'c (CH3) | 22.3 |
| 1'd (CH3) | 24.9 |
| 4'a (CH) | 192.2 |
| 6'a (CH) | 192.2 |
