Spektraris NMR
Macrocarpals I
Common Name: Macrocarpals I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17-,20+,21-,27+,28-/m1/s1
InChIKey: InChIKey=PXQFFMATXFLUPK-WFKARHRNSA-N
Formula: C28H42O7
Molecular Weight: 490.629951
Exact Mass: 490.293054
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) | 54.8 |
| 2 (CH2) | 25.2 |
| 3 (CH2) | 45.3 |
| 4 (C) | 71 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 22.6 |
| 7 (CH) | 50.4 |
| 8 (CH2) | 23.6 |
| 9 (CH2) | 43.4 |
| 10 (C) | 39.9 |
| 11 (C) | 71.6 |
| 12 (CH3) | 27.7 |
| 13 (CH3) | 28 |
| 14 (CH3) | 15.9 |
| 15 (CH3) | 23.4 |
| 1' (CH) | 31.6 |
| 2' (C) | 108.9 |
| 3' (C) | 171.9 |
| 4' (C) | 106.9 |
| 5' (C) | 171.7 |
| 6' (C) | 106.8 |
| 7' (C) | 170.4 |
| 1'a (CH2) | 44.5 |
| 1'b (CH) | 27.4 |
| 1'c (CH3) | 21.9 |
| 1'd (CH3) | 24.5 |
| 4'a (CH) | 192 |
| 6'a (CH) | 192.2 |
