Spektraris NMR
Taxumairol I
Common Name: Taxumairol I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/c1-12(2)27-10-18(36-14(4)29)13(3)21(27)22(38-16(6)31)24(39-17(7)32)26(8)20(37-15(5)30)9-19(33)28(34)11-35-25(27)23(26)28/h18-20,22-25,33-34H,1,9-11H2,2-8H3/t18-,19-,20-,22+,23-,24-,25-,26+,27-,28-/m0/s1
InChIKey: InChIKey=CSPOLLZGSHHTPE-FHXYGPRBSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
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 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) | 59.2 |
| 2 (CH) | 82.1 |
| 3 (CH) | 51.6 |
| 4 (C) | 82.9 |
| 5 (CH) | 73.4 |
| 6 (CH2) | 31.6 |
| 7 (CH) | 70.8 |
| 8 (C) | 43.8 |
| 9 (CH) | 73.6 |
| 10 (CH) | 69.3 |
| 11 (C) | 135.8 |
| 12 (C) | 141.3 |
| 13 (CH) | 81.1 |
| 14 (CH2) | 38.5 |
| 15 (C) | 148.9 |
| 16 (CH2) | 110.6 |
| 17 (CH3) | 20.9 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 15.2 |
| 20 (CH2) | 76.5 |
| 7a (C) | 170.6 |
| 7b (CH3) | 20 |
| 9a (C) | 169.8 |
| 9b (CH3) | 20.8 |
| 10a (C) | 169 |
| 10b (CH3) | 19.8 |
| 13a (C) | 171.2 |
| 13b (CH3) | 20.4 |
