Spektraris NMR
Taxumairol Y
Common Name: Taxumairol Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O11/c1-11-15(35-12(2)27)9-25(23(5,6)32)18(11)19(31)21(37-14(4)29)24(7)17(36-13(3)28)8-16(30)26(33)10-34-22(25)20(24)26/h15-17,19-22,30-33H,8-10H2,1-7H3/t15-,16-,17-,19+,20-,21-,22-,24+,25-,26-/m0/s1
InChIKey: InChIKey=QUOOCJSOEHOSCS-FFJMLDSGSA-N
Formula: C26H38O11
Molecular Weight: 526.574336
Exact Mass: 526.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Chang, Y.T., Wang, S.S., Lin, Y.C., Chen, C.Y. Chem Pharm Bull (2002) 50, 1561-5
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) | 64 |
| 2 (CH) | 79.5 |
| 3 (CH) | 51.7 |
| 4 (C) | 82.8 |
| 5 (CH) | 73.2 |
| 6 (CH2) | 31 |
| 7 (CH) | 70.2 |
| 8 (C) | 43.2 |
| 9 (CH) | 75.5 |
| 10 (CH) | 68.5 |
| 11 (C) | 138.6 |
| 12 (C) | 141 |
| 13 (CH) | 81 |
| 14 (CH2) | 36 |
| 15 (C) | 76 |
| 16 (CH3) | 27.8 |
| 17 (CH3) | 27.6 |
| 18 (CH3) | 12 |
| 19 (CH3) | 14.5 |
| 20 (CH2) | 76 |
| 7a (C) | 171 |
| 7b (CH3) | 20.8 |
| 9a (C) | 170.8 |
| 9b (CH3) | 20.5 |
| 13a (C) | 169.5 |
| 13b (CH3) | 20.5 |
