Spektraris NMR
11,11'-Didehydro-7,7'-dihydroxytaxodione
Common Name: 11,11'-Didehydro-7,7'-dihydroxytaxodione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H50O6/c1-19(2)21-17-23-27(39(9)15-11-13-37(5,6)35(39)33(45)31(23)43)25(29(21)41)26-28-24(18-22(20(3)4)30(26)42)32(44)34(46)36-38(7,8)14-12-16-40(28,36)10/h17-20,35-36,43-44H,11-16H2,1-10H3/t35-,36?,39+,40+/m0/s1
InChIKey: InChIKey=SEUIAXDEISGQTG-LJIMUPNUSA-N
Formula: C40H50O6
Molecular Weight: 626.822903
Exact Mass: 626.360739
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Ulubelen, A. J Nat Prod (1996) 59, 734-7
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) | 42.3 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 36.7 |
| 4 (C) | 33.5 |
| 5 (CH) | 62.1 |
| 6 (C) | 181.1 |
| 7 (C) | 141 |
| 8 (C) | 126.7 |
| 9 (C) | 145.5 |
| 10 (C) | 41.7 |
| 11 (C) | 136.8 |
| 12 (C) | 200.4 |
| 13 (C) | 144.8 |
| 14 (CH) | 133.1 |
| 15 (CH) | 27 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 21.2 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 21 |
| 1' (CH2) | 42.3 |
| 2' (CH2) | 18.6 |
| 3' (CH2) | 36.7 |
| 4' (C) | 33.5 |
| 5' (CH) | 62.1 |
| 6' (C) | 181.1 |
| 7' (C) | 141 |
| 8' (C) | 126.7 |
| 9' (C) | 145.5 |
| 10' (C) | 41.7 |
| 11' (C) | 136.8 |
| 12' (C) | 200.4 |
| 13' (C) | 144.8 |
| 14' (CH) | 133.1 |
| 15' (CH) | 27 |
| 16' (CH3) | 21.4 |
| 17' (CH3) | 21.2 |
| 18' (CH3) | 32.8 |
| 19' (CH3) | 21.5 |
| 20' (CH3) | 21 |
