Spektraris NMR
1α-Hydroperoxy-4α,10α-dihydroxy-9α-angeloyloxyguaia-2,11(13)-dien-12,6α-olide
Common Name: 1α-Hydroperoxy-4α,10α-dihydroxy-9α-angeloyloxyguaia-2,11(13)-dien-12,6α-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-10(2)17(21)25-14-9-12-11(3)18(22)26-16(12)15-13(20(14,5)24)7-8-19(15,4)23/h6-8,12-16,23-24H,3,9H2,1-2,4-5H3/b10-6-/t12-,13+,14+,15-,16-,19+,20-/m0/s1
InChIKey: InChIKey=PIACXIVHEDIXOD-MYVPIJLDSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, H., Meng, J.C., Cheng, C.H., Higa, T., Tanaka, J., Tan, R.X. J Nat Prod (1999) 62, 1053-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 90.8 |
| 2 (CH) | 134.2 |
| 3 (CH) | 139.1 |
| 4 (C) | 75.9 |
| 5 (CH) | 65.2 |
| 6 (CH) | 78.2 |
| 7 (CH) | 38.6 |
| 8 (CH2) | 31 |
| 9 (CH) | 82.3 |
| 10 (C) | 76.5 |
| 11 (C) | 138 |
| 12 (C) | 166.6 |
| 13 (CH2) | 120.6 |
| 14 (CH3) | 23.1 |
| 15 (CH3) | 22.6 |
| 9a (C) | 169.5 |
| 9b (C) | 126.9 |
| 9c (CH) | 139.1 |
| 9d (CH3) | 15.3 |
| 9ba (CH3) | 20.3 |
