Spektraris NMR
3α,8α-Dihydroxy-1rH,5rH,6ÇH,11ÇH-guai-4(15),10(14)-dien-12,6-olide 8-O-2-hydroxymethylacrylate
Common Name: 3α,8α-Dihydroxy-1rH,5rH,6ÇH,11ÇH-guai-4(15),10(14)-dien-12,6-olide 8-O-2-hydroxymethylacrylate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h11-17,20-21H,1-3,5-7H2,4H3/t11-,12-,13+,14-,15-,16+,17+/m0/s1
InChIKey: InChIKey=CCBNOSMFTUQQLZ-OPCFMFSHSA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
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) | 45.4 |
| 2 (CH2) | 40.1 |
| 3 (CH) | 74.4 |
| 4 (C) | 154.9 |
| 5 (CH) | 51.7 |
| 6 (CH) | 81.2 |
| 7 (CH) | 54.4 |
| 8 (CH) | 78 |
| 9 (CH2) | 41.5 |
| 10 (C) | 144.9 |
| 11 (CH) | 42.6 |
| 12 (C) | 180.9 |
| 13 (CH3) | 16.3 |
| 14 (CH2) | 117.5 |
| 15 (CH2) | 111.6 |
| 8a (C) | 166.9 |
| 8b (C) | 142.4 |
| 8c (CH2) | 62.1 |
| 8d (CH2) | 126 |
