Spektraris NMR
3α,8α-Dihydroxy-1rH,5rH,6ÇH,11ÇH-guai-4(15),10(14)-dien-12,6-olide 8-O-2-methylacrylate
Common Name: 3α,8α-Dihydroxy-1rH,5rH,6ÇH,11ÇH-guai-4(15),10(14)-dien-12,6-olide 8-O-2-methylacrylate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13+,14-,15-,16+,17+/m0/s1
InChIKey: InChIKey=IXOAQFFFKPCXLB-OPCFMFSHSA-N
Formula: C19H24O5
Molecular Weight: 332.391585
Exact Mass: 332.162374
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, H.B., Zhang, H.P., Zhou, Y., Zuo, J.P., Qin, G.W. J Nat Prod (2005) 68, 762-5
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) | 43.2 |
| 2 (CH2) | 37.8 |
| 3 (CH) | 72.1 |
| 4 (C) | 151.9 |
| 5 (CH) | 49.5 |
| 6 (CH) | 79 |
| 7 (CH) | 52.3 |
| 8 (CH) | 75.7 |
| 9 (CH2) | 39.4 |
| 10 (C) | 141.9 |
| 11 (CH) | 40.6 |
| 12 (C) | 178.5 |
| 13 (CH3) | 14.5 |
| 14 (CH2) | 116.1 |
| 15 (CH2) | 110.4 |
| 8a (C) | 166.1 |
| 8b (C) | 135.5 |
| 8c (CH3) | 17.3 |
| 8d (CH2) | 125.8 |
