Spektraris NMR
2α-Acetoxy-5α-cinnamoyloxy-9α,10β-(dimethylmethylenedioxy)taxa-4(20),11-dien-13-one
Common Name: 2α-Acetoxy-5α-cinnamoyloxy-9α,10β-(dimethylmethylenedioxy)taxa-4(20),11-dien-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O7/c1-19-24(36)18-23-29(38-21(3)35)28-20(2)25(39-26(37)15-14-22-12-10-9-11-13-22)16-17-34(28,8)31-30(27(19)32(23,4)5)40-33(6,7)41-31/h9-15,23,25,28-31H,2,16-18H2,1,3-8H3/b15-14+/t23-,25-,28-,29+,30+,31-,34+/m0/s1
InChIKey: InChIKey=BDZWFXWYHMMQSS-IKDDGQABSA-N
Formula: C34H42O7
Molecular Weight: 562.694367
Exact Mass: 562.293054
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) | 49.27 |
| 2 (CH) | 69.28 |
| 3 (CH) | 42.02 |
| 4 (C) | 141.64 |
| 5 (CH) | 78.64 |
| 6 (CH2) | 28.52 |
| 7 (CH2) | 26.57 |
| 8 (C) | 40.81 |
| 9 (CH) | 81.98 |
| 10 (CH) | 75.85 |
| 11 (C) | 155.52 |
| 12 (C) | 138.42 |
| 13 (C) | 199.17 |
| 14 (CH2) | 36.11 |
| 15 (C) | 38.35 |
| 16 (CH3) | 37.63 |
| 17 (CH3) | 24.23 |
| 18 (CH3) | 14.33 |
| 19 (CH3) | 17.31 |
| 20 (CH2) | 116.34 |
| 1' (C) | 108.15 |
| 2' (CH3) | 27.12 |
| 3' (CH3) | 26.8 |
| 2a (C) | 169.64 |
| 2b (CH3) | 21.43 |
| 5a (C) | 166.24 |
| 5b (CH) | 117.94 |
| 5c (CH) | 145.54 |
| 5d (C) | 134.52 |
| 5e (CH) | 130.33 |
| 5f (CH) | 128.93 |
| 5g (CH) | 128.42 |
| 5h (CH) | 128.93 |
| 5i (CH) | 130.33 |
