Spektraris NMR
5a,13a-Diacetoxy-10b-cinnamoyloxy-4(20),11-taxadien-9a-ol
Common Name: 5a,13a-Diacetoxy-10b-cinnamoyloxy-4(20),11-taxadien-9a-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O7/c1-19-25-17-24-18-27(39-22(4)35)20(2)29(32(24,5)6)30(40-28(36)14-13-23-11-9-8-10-12-23)31(37)33(25,7)16-15-26(19)38-21(3)34/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s1
InChIKey: InChIKey=OIDROLNPPXXFPD-ARASHVSRSA-N
Formula: C33H42O7
Molecular Weight: 550.683631
Exact Mass: 550.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, J., Bai, J., Hasegawa, T., Nishizawa, S., Sakai, J., Oka, S., Kiuchi, M., Hirose, K., Tomida, A., Tsuruo, T., Li, M., Ando, M. Chem Pharm Bull (2006) 54, 306-9
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) | 40.5 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 38 |
| 4 (C) | 149.4 |
| 5 (CH) | 76.7 |
| 6 (CH2) | 27.7 |
| 7 (CH2) | 26 |
| 8 (C) | 43.2 |
| 9 (CH) | 77.3 |
| 10 (CH) | 76.4 |
| 11 (C) | 135.3 |
| 12 (C) | 136.6 |
| 13 (CH) | 70.8 |
| 14 (CH2) | 31.9 |
| 15 (C) | 39.4 |
| 16 (CH3) | 31 |
| 17 (CH3) | 27.6 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 18.1 |
| 20 (CH2) | 113.6 |
| 1' (C) | 166.4 |
| 2' (CH) | 117.9 |
| 3' (CH) | 145.4 |
| 4' (C) | 134.2 |
| 5' (CH) | 128.2 |
| 6' (CH) | 128.9 |
| 7' (CH) | 130.5 |
| 8' (CH) | 128.9 |
| 9' (CH) | 128.2 |
| 5a (C) | 170.4 |
| 5b (CH3) | 21.4 |
| 13a (C) | 170 |
| 13b (CH3) | 21.8 |
