Spektraris NMR
13,15-epoxy-13-epi-taxayunnasin A
Common Name: 13,15-epoxy-13-epi-taxayunnasin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O12/c1-17-23-15-34(32(6,7)47-23)26(17)27(45-31(40)22-12-10-9-11-13-22)29(43-19(3)37)33(8)24(42-18(2)36)14-25-35(16-41-25,46-21(5)39)28(33)30(34)44-20(4)38/h9-13,23-25,27-30H,14-16H2,1-8H3/t23-,24+,25-,27-,28+,29+,30+,33-,34+,35+/m1/s1
InChIKey: InChIKey=UXAJPCGBDGLQRG-UALRYOCGSA-N
Formula: C35H42O12
Molecular Weight: 654.702127
Exact Mass: 654.267627
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Zhao, Y., Wang, F.S., Peng, L.Y., Li, X.L., Xu, G., Luo, X.X., Lu, Y., Wu, L., Zheng, Q.T., Zhao, Q.S. J Nat Prod (2006) 69, 1813-5
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 (C) | 68 |
| 2 (CH) | 66.3 |
| 3 (CH) | 45.8 |
| 4 (C) | 82.3 |
| 5 (CH) | 84.5 |
| 6 (CH2) | 32.8 |
| 7 (CH) | 71.6 |
| 8 (C) | 44.2 |
| 9 (CH) | 74.6 |
| 10 (CH) | 67.3 |
| 11 (C) | 134.5 |
| 12 (C) | 149.2 |
| 13 (CH) | 82.1 |
| 14 (CH2) | 46.8 |
| 15 (C) | 79 |
| 16 (CH3) | 26.8 |
| 17 (CH3) | 28.8 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 13.8 |
| 20 (CH2) | 77.9 |
| 1' (C) | 165.4 |
| 2' (C) | 130.5 |
| 3' (CH) | 130.8 |
| 4' (CH) | 129.7 |
| 5' (CH) | 134.5 |
| 6' (CH) | 129.7 |
| 7' (CH) | 130.8 |
| 2a (C) | 172.2 |
| 2b (CH3) | 22 |
| 4a (C) | 169.9 |
| 4b (CH3) | 21.7 |
| 7a (C) | 170.9 |
| 7b (CH3) | 21 |
| 9a (C) | 170.3 |
| 9b (CH3) | 20.7 |
