Spektraris NMR
Massarinolin A
Common Name: Massarinolin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-8-3-4-10-5-11(8)14(10)7-18-15(13(14)17)6-9(2)12(16)19-15/h6,10-11,13,17H,1,3-5,7H2,2H3/t10-,11-,13-,14+,15-/m0/s1
InChIKey: InChIKey=WSCZAOPWNOYKPC-RCZQDCHWSA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oh, H., Gloer, J.B., Shearer, C.A. J Nat Prod (1999) 62, 497-501
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (C) | 171.5 |
| 2 (C) | 134.6 |
| 3 (CH) | 143.1 |
| 4 (C) | 114.3 |
| 5 (CH) | 81.2 |
| 6 (C) | 56.1 |
| 7 (CH) | 35.5 |
| 8 (CH2) | 50.2 |
| 9 (CH) | 28.3 |
| 10 (C) | 148.2 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 24.3 |
| 13 (CH3) | 11 |
| 14 (CH2) | 72.8 |
| 15 (CH2) | 110.6 |
