Spektraris NMR
Bisprioterone C
Common Name: Bisprioterone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H42O6/c1-19(2)23-17-21-9-11-25-31(27(39)13-15-37(25,5)6)29(21)33(40)34(23)43-28-14-16-38(7,8)26-12-10-22-18-24(20(3)4)35(41)44-36(42)30(22)32(26)28/h9-12,17-20,28,40H,13-16H2,1-8H3
InChIKey: InChIKey=ASBQJEOWXFNWMP-UHFFFAOYSA-N
Formula: C38H42O6
Molecular Weight: 594.737905
Exact Mass: 594.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, J., Chang, J., Zhao, M., Zhang, J.S. Phytochemistry (2006) 67, 795-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (C) | 205 |
| 2 (CH2) | 36.6 |
| 3 (CH2) | 35.4 |
| 4 (C) | 36.2 |
| 5 (C) | 157.7 |
| 6 (CH) | 123 |
| 7 (CH) | 137.5 |
| 8 (C) | 132.3 |
| 9 (C) | 121.4 |
| 10 (C) | 127.7 |
| 11 (C) | 145.3 |
| 12 (C) | 137.7 |
| 13 (C) | 141.8 |
| 14 (CH) | 117.2 |
| 15 (CH) | 27.5 |
| 16 (CH3) | 23 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 29.6 |
| 1' (CH) | 77.9 |
| 2' (CH2) | 26.4 |
| 3' (CH2) | 37.3 |
| 4' (C) | 34.5 |
| 5' (C) | 141.8 |
| 6' (CH) | 130 |
| 7' (CH) | 130.9 |
| 8' (C) | 147.4 |
| 9' (C) | 121.5 |
| 10' (C) | 133.8 |
| 11' (C) | 170.1 |
| 12' (C) | 166.8 |
| 13' (C) | 145.3 |
| 14' (CH) | 127.3 |
| 15' (CH) | 33.1 |
| 16' (CH3) | 22.2 |
| 17' (CH3) | 22.2 |
| 18' (CH3) | 30.8 |
| 19' (CH3) | 31.6 |
