Spektraris NMR
Taxuspine A
Common Name: Taxuspine A
Synonyms: Taxuspine A
CAS Registry Number:
InChI: InChI=1S/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32+,33+,34+,37-,38+,41+,42+/m1/s1
InChIKey: InChIKey=MWIQLLBFLJOMOS-MHXMLUCXSA-N
Formula: C42H48O11
Molecular Weight: 728.825518
Exact Mass: 728.319662
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chu, A., Furlan, M., Davin, L.B., Zajicek, J., Towers, G.H.N., Soucybreau, C.M., Rettig, S.J., Croteau, R., Lewis, N.G. Phytochemistry (1994) 36, 975-85
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) | 62.8 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 39 |
| 4 (C) | 145.1 |
| 5 (CH) | 74.1 |
| 6 (CH2) | 34.2 |
| 7 (CH) | 69.7 |
| 8 (C) | 44.9 |
| 9 (CH) | 17.2 |
| 10 (CH) | 69.7 |
| 11 (C) | 136.7 |
| 12 (C) | 147 |
| 13 (CH) | 79.3 |
| 14 (CH2) | 44.5 |
| 15 (C) | 75.7 |
| 16 (CH3) | 27 |
| 17 (CH3) | 24.9 |
| 18 (CH3) | 12 |
| 19 (CH3) | 12.9 |
| 20 (CH2) | 114.7 |
| 5a (C) | 165.6 |
| 5b (CH) | 118.1 |
| 5c (CH) | 145.2 |
| 5d (C) | 134.3 |
| 5e (CH) | 128.9 |
| 5f (CH) | 128.1 |
| 5g (CH) | 130.5 |
| 5h (CH) | 128.1 |
| 5i (CH) | 128.9 |
| 7a (C) | 169.9 |
| 7b (CH3) | 21.4 |
| 9a (C) | 170 |
| 9b (CH3) | 20.7 |
| 10a (C) | 164.2 |
| 10b (C) | 129.2 |
| 10c (CH) | 129.5 |
| 10d (CH) | 128.8 |
| 10e (CH) | 133.4 |
| 10f (CH) | 128.8 |
| 10g (CH) | 129.5 |
| 13a (C) | 170.9 |
| 13b (CH3) | 20.4 |
