Spektraris NMR
5α-Cinnamoyloxy-9α,10β-(dimethylmethylenedioxy)-2α-hydroxytaxa-4(20),11-dien-13-one
Common Name: 5α-Cinnamoyloxy-9α,10β-(dimethylmethylenedioxy)-2α-hydroxytaxa-4(20),11-dien-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O6/c1-18-22(33)17-21-27(35)25-19(2)23(36-24(34)14-13-20-11-9-8-10-12-20)15-16-32(25,7)29-28(26(18)30(21,3)4)37-31(5,6)38-29/h8-14,21,23,25,27-29,35H,2,15-17H2,1,3-7H3/b14-13+/t21-,23-,25-,27+,28+,29-,32+/m0/s1
InChIKey: InChIKey=AZQNJECSYRFDDL-NRBVLDPZSA-N
Formula: C32H40O6
Molecular Weight: 520.657608
Exact Mass: 520.282489
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) | 51.87 |
| 2 (CH) | 68.19 |
| 3 (CH) | 44.05 |
| 4 (C) | 143.34 |
| 5 (CH) | 78.34 |
| 6 (CH2) | 28.95 |
| 7 (CH2) | 26.8 |
| 8 (C) | 41.11 |
| 9 (CH) | 81.96 |
| 10 (CH) | 75.83 |
| 11 (C) | 155.65 |
| 12 (C) | 137.93 |
| 13 (C) | 199.46 |
| 14 (CH2) | 35.84 |
| 15 (C) | 38.32 |
| 16 (CH3) | 38.06 |
| 17 (CH3) | 24.4 |
| 18 (CH3) | 14.21 |
| 19 (CH3) | 17.41 |
| 20 (CH2) | 108.02 |
| 1' (C) | 27.18 |
| 2' (CH3) | 26.8 |
| 3' (CH3) | 117.08 |
| 5a (C) | 166.25 |
| 5b (CH) | 117.8 |
| 5c (CH) | 145.67 |
| 5d (C) | 134.48 |
| 5e (CH) | 130.36 |
| 5f (CH) | 128.92 |
| 5g (CH) | 128.44 |
| 5h (CH) | 128.92 |
| 5i (CH) | 130.36 |
