Spektraris NMR
Taxumairol K
Common Name: Taxumairol K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(41-27(37)18-10-8-7-9-11-18)29(6)20(35)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1
InChIKey: InChIKey=IEMBQVLDTQOXFV-LPRGFTSCSA-N
Formula: C31H40O11
Molecular Weight: 588.643897
Exact Mass: 588.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Chen, C.Y., Kuo, Y.H. J Nat Prod (1998) 61, 838-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) | 66.6 |
| 2 (CH) | 70.2 |
| 3 (CH) | 43.7 |
| 4 (C) | 79.7 |
| 5 (CH) | 85.4 |
| 6 (CH2) | 34.7 |
| 7 (CH) | 70.2 |
| 8 (C) | 43.4 |
| 9 (CH) | 80.8 |
| 10 (CH) | 68.7 |
| 11 (C) | 137.9 |
| 12 (C) | 146.2 |
| 13 (CH) | 77.6 |
| 14 (CH2) | 39.5 |
| 15 (C) | 76.6 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 27.5 |
| 18 (CH3) | 11.3 |
| 19 (CH3) | 14 |
| 20 (CH2) | 75.1 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21.7 |
| 4a (C) | 171.3 |
| 4b (CH3) | 22.4 |
| 9a (C) | 167.7 |
| 9b (C) | 130.4 |
| 9c (CH) | 129.8 |
| 9d (CH) | 128.3 |
| 9e (CH) | 133 |
| 9f (CH) | 128.3 |
| 9g (CH) | 129.8 |
