Spektraris NMR
Pterodontoside B
Common Name: Pterodontoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-10-5-4-6-21(3)13(10)7-12(11(2)19(26)27)8-15(21)29-20-18(25)17(24)16(23)14(9-22)28-20/h7,10,12,14-18,20,22-25H,2,4-6,8-9H2,1,3H3,(H,26,27)/t10-,12-,14+,15-,16+,17-,18+,20-,21-/m0/s1
InChIKey: InChIKey=XYLGTYVCSSAKTM-AYVOGOSDSA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Huang, H.C., Chiou, W.F., Shi, L.S., Wu, T.S., Wu, Y.C. J Nat Prod (2003) 66, 554-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 38.42 |
| 2 (CH2) | 17.52 |
| 3 (CH2) | 33.85 |
| 4 (CH) | 37.91 |
| 5 (C) | 147.47 |
| 6 (CH) | 123.53 |
| 7 (CH) | 38.43 |
| 8 (CH2) | 33.03 |
| 9 (CH) | 87.79 |
| 10 (C) | 40.23 |
| 11 (C) | 146.75 |
| 12 (C) | 169.53 |
| 13 (CH2) | 122.62 |
| 14 (CH3) | 21.17 |
| 15 (CH3) | 23.79 |
| 1' (CH) | 106.54 |
| 2' (CH) | 75.88 |
| 3' (CH) | 78.11 |
| 4' (CH) | 71.94 |
| 5' (CH) | 78.72 |
| 6' (CH2) | 63.72 |
