Spektraris NMR
Taxuyunnanine E
Common Name: Taxuyunnanine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)23(43-18(3)35)13-22(37)33(45-19(4)36)15-41-28(32)26(31)33/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27+,28-,31+,32-,33-/m0/s1
InChIKey: InChIKey=DLRXNNIHKMPBBR-TWFWLOBISA-N
Formula: C33H42O12
Molecular Weight: 630.680655
Exact Mass: 630.267627
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) | 65 |
| 2 (CH) | 79.2 |
| 3 (CH) | 51.1 |
| 4 (C) | 94.6 |
| 5 (CH) | 71.7 |
| 6 (CH2) | 29.9 |
| 7 (CH) | 70.5 |
| 8 (C) | 43.2 |
| 9 (CH) | 75.2 |
| 10 (CH) | 69.1 |
| 11 (C) | 139.5 |
| 12 (C) | 141.7 |
| 13 (CH) | 81.8 |
| 14 (CH2) | 35.6 |
| 15 (C) | 76.3 |
| 16 (CH3) | 27.8 |
| 17 (CH3) | 27.9 |
| 18 (CH3) | 12.9 |
| 19 (CH3) | 15 |
| 20 (CH2) | 72.8 |
| 4a (C) | 172 |
| 4b (CH3) | 21.9 |
| 7a (C) | 170.3 |
| 7b (CH3) | 20.9 |
| 9a (C) | 164.8 |
| 9b (C) | 129.7 |
| 9c (CH) | 129.7 |
| 9d (CH) | 128.4 |
| 9e (CH) | 133.3 |
| 9f (CH) | 128.4 |
| 9g (CH) | 129.7 |
| 13a (C) | 170.1 |
| 13b (CH3) | 20.9 |
