Spektraris NMR
5α-Cinnamoyloxy-α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-dien-13-one
Common Name: 5α-Cinnamoyloxy-α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-dien-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H44O7/c1-20-24(35)18-23-29(38-19-37-8)28-21(2)25(39-26(36)15-14-22-12-10-9-11-13-22)16-17-34(28,7)31-30(27(20)32(23,3)4)40-33(5,6)41-31/h9-15,23,25,28-31H,2,16-19H2,1,3-8H3/b15-14+/t23-,25-,28-,29+,30+,31-,34+/m0/s1
InChIKey: InChIKey=JEFKZZPJCOUCMB-IKDDGQABSA-N
Formula: C34H44O7
Molecular Weight: 564.710248
Exact Mass: 564.308704
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) | 47.72 |
| 2 (CH) | 74.61 |
| 3 (CH) | 42.78 |
| 4 (C) | 142.1 |
| 5 (CH) | 79.42 |
| 6 (CH2) | 27.98 |
| 7 (CH2) | 26.67 |
| 8 (C) | 40.35 |
| 9 (CH) | 82.34 |
| 10 (CH) | 75.96 |
| 11 (C) | 152.52 |
| 12 (C) | 138.51 |
| 13 (C) | 199.84 |
| 14 (CH2) | 36.24 |
| 15 (C) | 38.32 |
| 16 (CH3) | 37.74 |
| 17 (CH3) | 24.35 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 17.51 |
| 20 (CH2) | 118.23 |
| 1' (C) | 108.03 |
| 2' (CH3) | 27.13 |
| 3' (CH3) | 26.81 |
| 2a (CH2) | 95.97 |
| 2b (CH3) | 56.56 |
| 5a (C) | 166.36 |
| 5b (CH) | 118.23 |
| 5c (CH) | 145.25 |
| 5d (C) | 134.62 |
| 5e (CH) | 130.22 |
| 5f (CH) | 128.91 |
| 5g (CH) | 128.4 |
| 5h (CH) | 128.91 |
| 5i (CH) | 130.22 |
