Spektraris NMR
Taxayunnansin A
Common Name: Taxayunnansin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O13/c1-17-23(40)15-34(32(6,7)42)26(17)27(47-31(41)22-12-10-9-11-13-22)29(45-19(3)37)33(8)24(44-18(2)36)14-25-35(16-43-25,48-21(5)39)28(33)30(34)46-20(4)38/h9-13,23-25,27-30,40,42H,14-16H2,1-8H3/t23-,24-,25+,27+,28-,29-,30-,33+,34-,35-/m0/s1
InChIKey: InChIKey=IKDVXNASCSGIHM-SZBOGCPYSA-N
Formula: C35H44O13
Molecular Weight: 672.717414
Exact Mass: 672.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, H.J., Tadeda, Y., Sun, H.D. Phytochemistry (1995) 39, 1147-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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 (C) | 67.7 |
| 2 (CH) | 68.1 |
| 3 (CH) | 44.1 |
| 4 (C) | 79.9 |
| 5 (CH) | 85 |
| 6 (CH2) | 34.8 |
| 7 (CH) | 70.4 |
| 8 (C) | 43.8 |
| 9 (CH) | 76.6 |
| 10 (CH) | 69.2 |
| 11 (C) | 134 |
| 12 (C) | 151.5 |
| 13 (CH) | 77 |
| 14 (CH2) | 39.6 |
| 15 (C) | 75.5 |
| 16 (CH3) | 27.5 |
| 17 (CH3) | 25.4 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 12.6 |
| 20 (CH2) | 74.9 |
| 2a (C) | 171 |
| 2b (CH3) | 22.2 |
| 4a (C) | 170.3 |
| 4b (CH3) | 21.5 |
| 7a (C) | 169.8 |
| 7b (CH3) | 21.3 |
| 9a (C) | 169.8 |
| 9b (CH3) | 20.5 |
| 10a (C) | 164.1 |
| 10b (C) | 129.2 |
| 10c (CH) | 129.5 |
| 10d (CH) | 128.7 |
| 10e (CH) | 133.3 |
| 10f (CH) | 128.7 |
| 10g (CH) | 129.5 |
