Spektraris NMR
Bisprioterone A
Common Name: Bisprioterone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H48O4/c1-20(2)12-11-13-27-24(9)15-17-28-34(27)39(43)38(42)31(23(7)8)35(28)36-30(18-21(3)4)44-40-33-26(16-14-25(10)32(33)36)19-29(22(5)6)37(40)41/h12,14-19,22-23,30,35-36,41-42H,11,13H2,1-10H3/t30-,35-,36-/m1/s1
InChIKey: InChIKey=LYASLLJCOCDXTP-ZCFPMLOXSA-N
Formula: C40H48O4
Molecular Weight: 592.808212
Exact Mass: 592.35526
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 (CH2) | 30.2 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 124.6 |
| 4 (C) | 131.7 |
| 5 (C) | 143 |
| 6 (CH) | 132.8 |
| 7 (CH) | 126.5 |
| 8 (C) | 144.7 |
| 9 (C) | 128.6 |
| 10 (C) | 136.1 |
| 11 (C) | 183.2 |
| 12 (C) | 145.3 |
| 13 (C) | 133.2 |
| 14 (CH) | 49.1 |
| 15 (CH) | 32.3 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 25.8 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 19.7 |
| 1' (CH) | 50.3 |
| 2' (CH) | 73.3 |
| 3' (CH) | 123.2 |
| 4' (C) | 136.1 |
| 5' (C) | 132 |
| 6' (CH) | 126.6 |
| 7' (CH) | 126.2 |
| 8' (C) | 126 |
| 9' (C) | 119.9 |
| 10' (C) | 123.6 |
| 11' (C) | 133.2 |
| 12' (C) | 139.2 |
| 13' (C) | 136 |
| 14' (CH) | 115.4 |
| 15' (CH) | 27.6 |
| 16' (CH3) | 22.1 |
| 17' (CH3) | 23 |
| 18' (CH3) | 25.5 |
| 19' (CH3) | 17.9 |
| 20' (CH3) | 18.7 |
