Spektraris NMR
5a-Hydroxy-9a,10b,13a-triacetoxytaxa-4(20),11-diene
Common Name: 5a-Hydroxy-9a,10b,13a-triacetoxytaxa-4(20),11-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1
InChIKey: InChIKey=SKJSIVQEPKBFTJ-HUWILPJBSA-N
Formula: C28H40O8
Molecular Weight: 504.613475
Exact Mass: 504.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, S.J., Fang, J.M., Cheng, Y.S. Phytochemistry (1996) 43, 839-42
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) | 39.5 |
| 2 (CH2) | 32.3 |
| 3 (CH) | 36.1 |
| 4 (C) | 153.3 |
| 5 (CH) | 77.4 |
| 6 (CH2) | 26.4 |
| 7 (CH2) | 29 |
| 8 (C) | 43.4 |
| 9 (CH) | 74.3 |
| 10 (CH) | 72.8 |
| 11 (C) | 136.1 |
| 12 (C) | 137.2 |
| 13 (CH) | 70.2 |
| 14 (CH2) | 26 |
| 15 (C) | 38.7 |
| 16 (CH3) | 27.4 |
| 17 (CH3) | 32.3 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 17.1 |
| 20 (CH2) | 111.1 |
