Spektraris NMR
9,13-Diacetyltaxumairol W
Common Name: 9,13-Diacetyltaxumairol W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-31(29(8,9)39)24(14)25(43-17(4)35)27(44-18(5)36)30(10)22(42-16(3)34)11-23-32(13-40-23,46-20(7)38)26(30)28(31)45-19(6)37/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23+,25+,26-,27-,28-,30+,31-,32-/m0/s1
InChIKey: InChIKey=DVKJQAGUQIUCRQ-NUUUYSQMSA-N
Formula: C32H44O14
Molecular Weight: 652.684611
Exact Mass: 652.273106
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, S.S., Pan, Y.L., Lo, K.L., Chakraborty, R., Chien, C.T., Kuo, Y.H., Lin, Y.C. J Nat Prod (2002) 65, 1848-52
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) | 67.8 |
| 2 (CH) | 68.2 |
| 3 (CH) | 43.6 |
| 4 (C) | 79.4 |
| 5 (CH) | 84.8 |
| 6 (CH2) | 36.8 |
| 7 (CH) | 70.6 |
| 8 (C) | 44.7 |
| 9 (CH) | 78.7 |
| 10 (CH) | 78.7 |
| 11 (C) | 136 |
| 12 (C) | 147 |
| 13 (CH) | 70.6 |
| 14 (CH2) | 34.8 |
| 15 (C) | 74.6 |
| 16 (CH3) | 25.1 |
| 17 (CH3) | 27.6 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 12.5 |
| 20 (CH2) | 75.3 |
| 2a (C) | 168.8 |
| 2b (CH3) | 20.7 |
| 4a (C) | 169.1 |
| 4b (CH3) | 20.8 |
| 7a (C) | 169.7 |
| 7b (CH3) | 21.1 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.4 |
| 10a (C) | 170.3 |
| 10b (CH3) | 21.7 |
| 13a (C) | 170.7 |
| 13b (CH3) | 22 |
