Spektraris NMR
9A,14-Dihydroxy-15-isobutyryloxy-costunolide
Common Name: 9A,14-Dihydroxy-15-isobutyryloxy-costunolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O6/c1-11(2)18(22)24-10-13-5-4-6-14(9-20)16(21)8-15-12(3)19(23)25-17(15)7-13/h6-7,11,15-17,20-21H,3-5,8-10H2,1-2H3/b13-7-,14-6-/t15-,16+,17+/m0/s1
InChIKey: InChIKey=RVKFWBVDFTVESX-ZJWSFZNISA-N
Formula: C19H26O6
Molecular Weight: 350.406871
Exact Mass: 350.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rungeler P., Brecht V., Tamayo-Castillo G., Merfort I. Phytochemistry (2001) 56, 475-89
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 127.6 |
| 2 (CH2) | 26 |
| 3 (CH2) | 35.2 |
| 4 (C) | 139.7 |
| 5 (CH) | 131.4 |
| 6 (CH) | 79.8 |
| 7 (CH) | 41.4 |
| 8 (CH2) | 35.7 |
| 9 (CH) | 69.3 |
| 10 (C) | 141.4 |
| 11 (C) | 137.9 |
| 12 (C) | 170 |
| 13 (CH2) | 119.8 |
| 14 (CH2) | 59.2 |
| 15 (CH2) | 61.7 |
| 15a (C) | 176.9 |
| 15b (CH) | 34 |
| 15c (CH3) | 18.9 |
| 15ab (CH3) | 18.9 |
