Spektraris NMR
2α-Acetoxy-5α-cinnamoyloxy-9α,10β-dihydroxytaxa-4(20),11-dien-13-one
Common Name: 2α-Acetoxy-5α-cinnamoyloxy-9α,10β-dihydroxytaxa-4(20),11-dien-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O7/c1-17-22(33)16-21-28(37-19(3)32)26-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-31(26,6)29(36)27(35)25(17)30(21,4)5/h7-13,21,23,26-29,35-36H,2,14-16H2,1,3-6H3/b13-12+/t21-,23-,26-,27+,28+,29-,31+/m0/s1
InChIKey: InChIKey=VINWCUNFNJBSQA-IRZWYNESSA-N
Formula: C31H38O7
Molecular Weight: 522.630396
Exact Mass: 522.261754
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) | 48.82 |
| 2 (CH) | 69.82 |
| 3 (CH) | 43.17 |
| 4 (C) | 142.45 |
| 5 (CH) | 78.68 |
| 6 (CH2) | 28.52 |
| 7 (CH2) | 26.24 |
| 8 (C) | 44.46 |
| 9 (CH) | 77.77 |
| 10 (CH) | 73.37 |
| 11 (C) | 155.26 |
| 12 (C) | 135.74 |
| 13 (C) | 199.83 |
| 14 (CH2) | 36.13 |
| 15 (C) | 37.99 |
| 16 (CH3) | 37.6 |
| 17 (CH3) | 25.29 |
| 18 (CH3) | 14.12 |
| 19 (CH3) | 17.69 |
| 20 (CH2) | 116.59 |
| 2a (C) | 169.74 |
| 2b (CH3) | 21.16 |
| 5a (C) | 166.39 |
| 5b (CH) | 118.01 |
| 5c (CH) | 145.54 |
| 5d (C) | 128.93 |
| 5e (CH) | 128.43 |
| 5f (CH) | 130.3 |
| 5g (CH) | 134.55 |
| 5h (CH) | 130.3 |
| 5i (CH) | 128.43 |
