Spektraris NMR
6α-Hydroxy-2α,5α,10β,14β-tetraacetoxy-taxadiene
Common Name: 6α-Hydroxy-2α,5α,10β,14β-tetraacetoxy-taxadiene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O9/c1-13-10-20(34-15(3)29)24-26(37-18(6)32)23-14(2)25(36-17(5)31)19(33)11-28(23,9)12-21(35-16(4)30)22(13)27(24,7)8/h19-21,23-26,33H,2,10-12H2,1,3-9H3/t19-,20-,21-,23-,24-,25+,26-,28-/m0/s1
InChIKey: InChIKey=NAEOQYAJXVZJIJ-ZQTBIRCVSA-N
Formula: C28H40O9
Molecular Weight: 520.61288
Exact Mass: 520.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hu, S.H., Tian, X.F., Zhu, W.H., Fang, Q.C. J Nat Prod (1996) 59, 1006-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Taxanes; 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) | 58.84 |
| 2 (CH) | 70.24 |
| 3 (CH) | 41.65 |
| 4 (C) | 138.5 |
| 5 (CH) | 81.69 |
| 6 (CH) | 70.01 |
| 7 (CH2) | 41.37 |
| 8 (C) | 37.36 |
| 9 (CH2) | 44.35 |
| 10 (CH) | 70.07 |
| 11 (C) | 135.57 |
| 12 (C) | 134.63 |
| 13 (CH2) | 39.45 |
| 14 (CH) | 70.53 |
| 15 (C) | 39.51 |
| 16 (CH3) | 25.43 |
| 17 (CH3) | 31.73 |
| 18 (CH3) | 21.56 |
| 19 (CH3) | 25.3 |
| 20 (CH2) | 120.47 |
| 2a (C) | 170.16 |
| 2b (CH3) | 21.4 |
| 5a (C) | 169.97 |
| 5b (CH3) | 20.92 |
| 10a (C) | 169.45 |
| 10b (CH3) | 21.4 |
| 14a (C) | 169.97 |
| 14b (CH3) | 21.36 |
