Spektraris NMR
(+)-Pseudopterosin Q
Common Name: (+)-Pseudopterosin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O8/c1-13(2)10-19-11-15(4)20-9-8-14(3)22-24(20)23(19)16(5)26(28(22)36-18(7)31)37-29-25(33)27(35-17(6)30)21(32)12-34-29/h10,14-15,19-21,25,27,29,32-33H,8-9,11-12H2,1-7H3/t14-,15-,19-,20+,21-,25-,27+,29+/m0/s1
InChIKey: InChIKey=XGSNFBGWILORFG-VYUWWAAMSA-N
Formula: C29H40O8
Molecular Weight: 516.624211
Exact Mass: 516.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ata, A., Win, H.Y., Holt, D., Holloway, P., Segstro, E.P., Jayatilake, G.S. Helv Chim Acta (2004) 87, 1090-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Amphilectanes; 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) | 39.7 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 30 |
| 4 (CH) | 43 |
| 5 (CH2) | 26.8 |
| 6 (CH2) | 28.5 |
| 7 (CH) | 35.7 |
| 8 (C) | 129.8 |
| 9 (C) | 141.8 |
| 10 (C) | 145.3 |
| 11 (C) | 120.9 |
| 12 (C) | 134.7 |
| 13 (C) | 130.2 |
| 14 (CH) | 130 |
| 15 (C) | 128.2 |
| 16 (CH3) | 24.2 |
| 17 (CH3) | 20.9 |
| 18 (CH3) | 21.4 |
| 19 (CH3) | 25.3 |
| 20 (CH3) | 11 |
| 1' (CH) | 104.6 |
| 2' (CH) | 70 |
| 3' (CH) | 74.1 |
| 4' (CH) | 67 |
| 5' (CH2) | 68.5 |
| 6' (C) | 170.8 |
| 7' (CH3) | 22.8 |
| 9a (C) | 175.8 |
| 9b (CH3) | 22.3 |
