Spektraris NMR
13α-Acetoxy-5α-cinnamoyloxy-9α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)-taxa-4(20),11-diene
Common Name: 13α-Acetoxy-5α-cinnamoyloxy-9α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)-taxa-4(20),11-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H48O8/c1-21-26(42-28(38)16-15-24-13-11-10-12-14-24)17-18-36(8)30(21)31(40-20-39-9)25-19-27(41-23(3)37)22(2)29(34(25,4)5)32-33(36)44-35(6,7)43-32/h10-16,25-27,30-33H,1,17-20H2,2-9H3/b16-15+/t25-,26-,27-,30-,31+,32+,33-,36+/m0/s1
InChIKey: InChIKey=RNKWEXOLUSDPTO-LXSFIEFVSA-N
Formula: C36H48O8
Molecular Weight: 608.762888
Exact Mass: 608.334919
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, S., Wang, J., Hirose, K., Ando, M. J Nat Prod (2002) 65, 1786-92
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) | 47.45 |
| 2 (CH) | 77 |
| 3 (CH) | 43 |
| 4 (C) | 142.69 |
| 5 (CH) | 79.57 |
| 6 (CH2) | 27.35 |
| 7 (CH2) | 26.16 |
| 8 (C) | 40.01 |
| 9 (CH) | 82.39 |
| 10 (CH) | 74.8 |
| 11 (C) | 135.18 |
| 12 (C) | 138.16 |
| 13 (CH) | 71.04 |
| 14 (CH2) | 28.97 |
| 15 (C) | 38.27 |
| 16 (CH3) | 32.27 |
| 17 (CH3) | 25.85 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 18.57 |
| 20 (CH2) | 120 |
| 1' (C) | 107.03 |
| 2' (CH3) | 27.31 |
| 3' (CH3) | 26.91 |
| 2a (CH2) | 95.46 |
| 2b (CH3) | 56.34 |
| 5a (C) | 166.14 |
| 5b (CH) | 118.9 |
| 5c (CH) | 145.03 |
| 5d (C) | 134.62 |
| 5e (CH) | 127.89 |
| 5f (CH) | 129.04 |
| 5g (CH) | 134.45 |
| 5h (CH) | 129.04 |
| 5i (CH) | 127.89 |
| 13a (C) | 170.74 |
| 13b (CH3) | 20.98 |
