Spektraris NMR
5b-Angeloyloxy-3a,4,5,6,7,7a-hexahydro-3ab-methyl-1H-indene-2,4b-dioic acid methyl ester
Common Name: 5b-Angeloyloxy-3a,4,5,6,7,7a-hexahydro-3ab-methyl-1H-indene-2,4b-dioic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O6/c1-6-11(2)16(20)25-14-8-7-13-9-12(17(21)23-4)10-19(13,3)15(14)18(22)24-5/h6,10,13-15H,7-9H2,1-5H3/b11-6-/t13?,14-,15+,19-/m0/s1
InChIKey: InChIKey=GTQAUWWSOKGAGH-XAVFQXESSA-N
Formula: C19H26O6
Molecular Weight: 350.406871
Exact Mass: 350.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Z.X., Lin, C.J., Li, P.L., Jia, Z.J. Planta Med (2007) 73, 585-90
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 (CH2) | 24.7 |
| 2 (CH2) | 24.7 |
| 3 (CH) | 69.9 |
| 4 (CH) | 50.5 |
| 5 (C) | 49.6 |
| 6 (CH) | 152 |
| 7 (C) | 134.1 |
| 8 (CH2) | 35.8 |
| 9 (CH) | 43.2 |
| 10 (C) | 166 |
| 11 (CH3) | 22.7 |
| 12 (C) | 171.9 |
| 3a (C) | 167 |
| 3b (C) | 127.8 |
| 3c (CH) | 138 |
| 3d (CH3) | 15.6 |
| 3ba (CH3) | 20.5 |
| 10a (CH3) | 51.5 |
| 12a (CH3) | 51.4 |
