Spektraris NMR
13α-Acetoxy-5α-cinnamoyloxy-2α-(methoxymethoxy)-taxa-4(20),11-diene-9α,10β-diol
Common Name: 13α-Acetoxy-5α-cinnamoyloxy-2α-(methoxymethoxy)-taxa-4(20),11-diene-9α,10β-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O8/c1-19-24(41-26(35)14-13-22-11-9-8-10-12-22)15-16-33(6)28(19)30(39-18-38-7)23-17-25(40-21(3)34)20(2)27(32(23,4)5)29(36)31(33)37/h8-14,23-25,28-31,36-37H,1,15-18H2,2-7H3/b14-13+/t23-,24-,25-,28-,29+,30+,31-,33+/m0/s1
InChIKey: InChIKey=QVADMPJYSRCPQQ-UARSWVRWSA-N
Formula: C33H44O8
Molecular Weight: 568.698917
Exact Mass: 568.303618
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) | 47.13 |
| 2 (CH) | 78.51 |
| 3 (CH) | 44.19 |
| 4 (C) | 143.21 |
| 5 (CH) | 79.53 |
| 6 (CH2) | 27.9 |
| 7 (CH2) | 27.01 |
| 8 (C) | 43.57 |
| 9 (CH) | 77.04 |
| 10 (CH) | 71.99 |
| 11 (C) | 134.34 |
| 12 (C) | 137.4 |
| 13 (CH) | 70.98 |
| 14 (CH2) | 28.87 |
| 15 (C) | 37.97 |
| 16 (CH3) | 31.96 |
| 17 (CH3) | 26 |
| 18 (CH3) | 15.79 |
| 19 (CH3) | 18.8 |
| 20 (CH2) | 120.09 |
| 2a (CH2) | 95.41 |
| 2b (CH3) | 56.27 |
| 5a (C) | 166.23 |
| 5b (CH) | 119 |
| 5c (CH) | 145.01 |
| 5d (C) | 134.42 |
| 5e (CH) | 127.93 |
| 5f (CH) | 129.02 |
| 5g (CH) | 130.43 |
| 5h (CH) | 129.02 |
| 5i (CH) | 127.93 |
| 13a (C) | 170.91 |
| 13b (CH3) | 21.05 |
