Spektraris NMR
5a-(Cinnamoyl)oxy-7b-hydroxy-9a,10b,13a-tri-acetoxytaxa-4(20),11-diene
Common Name: 5a-(Cinnamoyl)oxy-7b-hydroxy-9a,10b,13a-tri-acetoxytaxa-4(20),11-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3/b15-14+/t26-,27-,28+,29+,32-,33+,35-/m1/s1
InChIKey: InChIKey=RIVHKUMNQRHVLQ-WPPRULKUSA-N
Formula: C35H44O8
Molecular Weight: 592.720389
Exact Mass: 592.303618
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) | 40 |
| 2 (CH2) | 69.9 |
| 3 (CH) | 37.3 |
| 4 (C) | 146.2 |
| 5 (CH) | 78.2 |
| 6 (CH2) | 34.5 |
| 7 (CH2) | 70.5 |
| 8 (C) | 46.2 |
| 9 (CH) | 76.5 |
| 10 (CH) | 71.6 |
| 11 (C) | 134.9 |
| 12 (C) | 137.1 |
| 13 (CH) | 70 |
| 14 (CH2) | 31.8 |
| 15 (C) | 39.3 |
| 16 (CH3) | 27.1 |
| 17 (CH3) | 31 |
| 18 (CH3) | 13.1 |
| 19 (CH3) | 15.2 |
| 20 (CH2) | 115.9 |
| 5a (C) | 166 |
| 5b (CH) | 118.3 |
| 5c (CH) | 145.6 |
| 5d (C) | 134 |
| 5e (CH) | 128 |
| 5f (CH) | 128.9 |
| 5g (CH) | 130.5 |
| 5h (CH) | 128.9 |
| 5i (CH) | 128 |
