Spektraris NMR
(+)-16-O-acetyl-20-formylhyrtiosal
Common Name: (+)-16-O-acetyl-20-formylhyrtiosal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O5/c1-18(30)32-20(19-8-12-31-15-19)13-22-25(3,17-29)14-23-26(4)10-6-9-24(2,16-28)21(26)7-11-27(22,23)5/h8,12,15-17,20-23H,6-7,9-11,13-14H2,1-5H3/t20-,21+,22+,23+,24-,25+,26-,27-/m1/s1
InChIKey: InChIKey=MCJQZTKYTPDPJK-WUFRFPSHSA-N
Formula: C27H38O5
Molecular Weight: 442.588643
Exact Mass: 442.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qiu, Y., Deng, Z., Pei, Y., Fu, H., Li, J., Proksch, P., Lin, W. J Nat Prod (2004) 67, 921-4
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Tricarbocyclics; 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) | 39.53 |
| 2 (CH2) | 17.1 |
| 3 (CH2) | 30.02 |
| 4 (C) | 50.44 |
| 5 (CH) | 49.71 |
| 6 (CH2) | 21.62 |
| 7 (CH2) | 40.44 |
| 8 (C) | 42.56 |
| 9 (CH) | 60.13 |
| 10 (C) | 36.21 |
| 11 (CH2) | 33.55 |
| 12 (CH3) | 19.61 |
| 13 (C) | 53.36 |
| 14 (CH) | 49.12 |
| 15 (CH2) | 33.86 |
| 16 (CH) | 66.97 |
| 17 (C) | 124.5 |
| 18 (CH) | 109.13 |
| 19 (CH) | 143.65 |
| 20 (CH) | 208.22 |
| 21 (CH3) | 13.89 |
| 22 (CH3) | 16.14 |
| 23 (CH3) | 16.5 |
| 24 (CH) | 204.98 |
| 25 (CH) | 143.71 |
| 16a (C) | 171.24 |
| 16b (CH3) | 21.54 |
