Spektraris NMR
19-Acetoxytaxagifine
Common Name: 19-Acetoxytaxagifine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H46O15/c1-20-28(54-31(46)15-14-26-12-10-9-11-13-26)17-30(50-22(3)41)38(19-48-21(2)40)32(20)33(51-23(4)42)27-16-29(45)37(8)39(47,36(27,7)18-49-37)35(53-25(6)44)34(38)52-24(5)43/h9-15,27-28,30,32-35,47H,1,16-19H2,2-8H3/b15-14+/t27-,28-,30-,32-,33+,34-,35-,36-,37+,38+,39-/m0/s1
InChIKey: InChIKey=YJLKXWCZWJGUAN-OILLXYFHSA-N
Formula: C39H46O15
Molecular Weight: 754.775049
Exact Mass: 754.283671
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fukushima, M., Takeda, J., Fukamiya, N., Okano, M., Tagahara, K., Zhang, S.X., Zhang, D.C., Lee, K.H. J Nat Prod (1999) 62, 140-2
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) | 48.7 |
| 2 (CH) | 70.5 |
| 3 (CH) | 39.9 |
| 4 (C) | 140.8 |
| 5 (CH) | 73.8 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 69.2 |
| 8 (C) | 49.1 |
| 9 (CH) | 68.4 |
| 10 (CH) | 65.3 |
| 11 (C) | 82.3 |
| 12 (C) | 91.7 |
| 13 (C) | 204.4 |
| 14 (CH2) | 32.3 |
| 15 (C) | 49.7 |
| 16 (CH3) | 15.1 |
| 17 (CH2) | 80.4 |
| 18 (CH3) | 12.2 |
| 19 (CH2) | 61.6 |
| 20 (CH2) | 115.4 |
| 2a (C) | 168.9 |
| 2b (CH3) | 20.9 |
| 5a (C) | 166 |
| 5b (CH) | 117.7 |
| 5c (CH) | 146.3 |
| 5d (C) | 134.7 |
| 5e (CH) | 128.8 |
| 5f (CH) | 127.9 |
| 5g (CH) | 130.2 |
| 5h (CH) | 130.2 |
| 5i (CH) | 128.8 |
| 7a (C) | 167 |
| 7b (CH3) | 20.6 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21.3 |
| 10a (C) | 170.8 |
| 10b (CH3) | 20.9 |
| 19a (C) | 172.2 |
| 19b (CH3) | 21.3 |
