Spektraris NMR
Taxumairol G
Common Name: Taxumairol G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-36(34(7,8)51-33(44)24-13-11-10-12-14-24)28(18)29(48-21(4)40)31(49-22(5)41)35(9)27(47-20(3)39)15-26(43)37(50-23(6)42)17-45-32(36)30(35)37/h10-14,25-27,29-32,43H,15-17H2,1-9H3/t25-,26-,27-,29+,30-,31-,32-,35+,36-,37-/m0/s1
InChIKey: InChIKey=GPIUIJXTLDGVBC-KBSYMDHASA-N
Formula: C37H46O14
Molecular Weight: 714.754172
Exact Mass: 714.288756
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, X.Y., Isogai, A., Furihata, K., Lin, Z.W., Sun, H.D., Suzuki, A. Phytochemistry (1994) 35, 820-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Taxanes; 13 13 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) | 65.2 |
| 2 (CH) | 79.8 |
| 3 (CH) | 50.5 |
| 4 (C) | 94.3 |
| 5 (CH) | 71.6 |
| 6 (CH2) | 30.2 |
| 7 (CH) | 69.9 |
| 8 (C) | 43 |
| 9 (CH) | 73.6 |
| 10 (CH) | 69.3 |
| 11 (C) | 135.5 |
| 12 (C) | 145.2 |
| 13 (CH) | 81.2 |
| 14 (CH2) | 35.6 |
| 15 (C) | 87.7 |
| 16 (CH3) | 24 |
| 17 (CH3) | 25.3 |
| 18 (CH3) | 13 |
| 19 (CH3) | 15.2 |
| 20 (CH2) | 72.8 |
| 4a (C) | 169.2 |
| 4b (CH3) | 21 |
| 7a (C) | 172.3 |
| 7b (CH3) | 20.9 |
| 9a (C) | 169 |
| 9b (CH3) | 21 |
| 10a (C) | 169.1 |
| 10b (CH3) | 20.8 |
| 13a (C) | 170.5 |
| 13b (CH3) | 21.1 |
| 15a (C) | 165.9 |
| 15b (C) | 132.7 |
| 15c (CH) | 129.4 |
| 15d (CH) | 128.3 |
| 15e (CH) | 132.6 |
| 15f (CH) | 128.3 |
| 15g (CH) | 129.4 |
