Spektraris NMR
9b -hydroxy-GTX-II-3,6,14,16-tetra-O-acetate
Common Name: 9b -hydroxy-GTX-II-3,6,14,16-tetra-O-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-14-20-11-21(35-15(2)29)24(6,7)28(20,34)22(36-16(3)30)12-26-13-25(8,38-18(5)32)19(9-10-27(14,26)33)23(26)37-17(4)31/h19-23,33-34H,1,9-13H2,2-8H3/t19-,20+,21+,22-,23-,25-,26-,27-,28+/m1/s1
InChIKey: InChIKey=DUGSLLYWWJMFRP-BXUDQXIPSA-N
Formula: C28H40O10
Molecular Weight: 536.612285
Exact Mass: 536.262148
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Terai, T., Osakabe, K., Katai, M., Sakaguchi, K., Narama, I., Matsuura, T., Katakawa, J., Tetsumi, T. Chem Pharm Bull (2003) 51, 351-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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) | 47.6 |
| 2 (CH2) | 40.8 |
| 3 (CH) | 81.4 |
| 4 (C) | 51.1 |
| 5 (C) | 89.5 |
| 6 (CH) | 76.5 |
| 7 (CH2) | 33.2 |
| 8 (C) | 54.5 |
| 9 (C) | 78.8 |
| 10 (C) | 150.9 |
| 11 (CH2) | 32.8 |
| 12 (CH2) | 23.4 |
| 13 (CH) | 49.9 |
| 14 (CH) | 79.9 |
| 15 (CH2) | 52.7 |
| 16 (C) | 82.6 |
| 17 (CH3) | 19.6 |
| 18 (CH3) | 25.3 |
| 19 (CH3) | 19.2 |
| 20 (CH2) | 118.1 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21.1 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.3 |
| 15a (C) | 170.8 |
| 15b (CH3) | 21.5 |
| 16aa (C) | 171.2 |
| 16ab (CH3) | 22.6 |
