Spektraris NMR
Myrsicorianol
Common Name: Myrsicorianol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-16(2)8-7-9-18(5)10-11-20-12-22(25(29)30-15-19(6)26)13-21(24(20)28)14-23(27)17(3)4/h8,10,12-13,19,23,26-28H,3,7,9,11,14-15H2,1-2,4-6H3/b18-10+
InChIKey: InChIKey=SIRFXFZFJCCPNQ-VCHYOVAHSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Amaro-Luis, J.M., Koteich-Khatib, S., Carrillo-Rodriguez, F., Bahsas, A. Nat. Prod. Commun. (2008) 3, 323-7
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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 (CH2) | 29 |
| 2 (CH) | 122 |
| 3 (C) | 137.1 |
| 4 (CH2) | 40 |
| 5 (CH2) | 26.9 |
| 6 (CH) | 124.1 |
| 7 (C) | 132 |
| 8 (CH3) | 25.8 |
| 9 (CH3) | 16.4 |
| 10 (CH3) | 18 |
| 1' (C) | 127.4 |
| 2' (CH) | 129.7 |
| 3' (C) | 129.5 |
| 4' (CH) | 131.4 |
| 5' (C) | 126 |
| 6' (C) | 158.9 |
| 3'a (C) | 167.2 |
| 3'b (CH2) | 70.2 |
| 3'c (CH) | 66.7 |
| 3'd (CH3) | 19.4 |
| 5'a (CH2) | 38 |
| 5'b (CH) | 78.3 |
| 5'c (C) | 145.8 |
| 5'd (CH2) | 111.6 |
| 5'e (CH3) | 18.3 |
