Spektraris NMR
Bisprioterone B
Common Name: Bisprioterone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H46O5/c1-18(2)16-27-34(29-21(7)10-11-22-17-24(19(3)4)35(41)38(44-27)30(22)29)31-23-12-13-25-33(26(40)14-15-39(25,8)9)32(23)37(43)36(42)28(31)20(5)6/h10-13,16-17,19-20,26-27,31,34,40-42H,14-15H2,1-9H3/t26?,27-,31-,34-/m1/s1
InChIKey: InChIKey=JAOKJWAOOMRVIW-OGUAZANESA-N
Formula: C39H46O5
Molecular Weight: 594.780999
Exact Mass: 594.334525
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 (CH) | 63.5 |
| 2 (CH2) | 27.1 |
| 3 (CH2) | 32.2 |
| 4 (C) | 34.1 |
| 5 (C) | 145.1 |
| 6 (CH) | 129.4 |
| 7 (CH) | 128.1 |
| 8 (C) | 143.6 |
| 9 (C) | 128 |
| 10 (C) | 139 |
| 11 (C) | 184.3 |
| 12 (C) | 146.6 |
| 13 (C) | 134.1 |
| 14 (CH) | 48.6 |
| 15 (CH) | 32.9 |
| 16 (CH3) | 19.8 |
| 17 (CH3) | 20 |
| 18 (CH3) | 30.5 |
| 19 (CH3) | 31.4 |
| 1' (CH) | 44.3 |
| 2' (CH) | 69.3 |
| 3' (CH) | 122.3 |
| 4' (C) | 137.7 |
| 5' (C) | 130.4 |
| 6' (CH) | 126.6 |
| 7' (CH) | 126.5 |
| 8' (C) | 125.6 |
| 9' (C) | 120.8 |
| 10' (C) | 124.7 |
| 11' (C) | 132.5 |
| 12' (C) | 138.7 |
| 13' (C) | 136.2 |
| 14' (CH) | 114.9 |
| 15' (CH) | 27.2 |
| 16' (CH3) | 21.5 |
| 17' (CH3) | 23.3 |
| 18' (CH3) | 18.7 |
| 19' (CH3) | 25.6 |
| 20' (CH3) | 18.9 |
