Spektraris NMR
Tasumatrols B
Common Name: Tasumatrols B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O11/c1-11-15(30)9-25(23(5,6)33)18(11)19(31)21(32)24(7)16(35-12(2)27)8-17-26(10-34-17,37-14(4)29)20(24)22(25)36-13(3)28/h15-17,19-22,30-33H,8-10H2,1-7H3/t15-,16-,17+,19+,20-,21-,22-,24+,25-,26-/m0/s1
InChIKey: InChIKey=NJSJVQUVJQXFJV-RUAUDDMISA-N
Formula: C26H38O11
Molecular Weight: 526.574336
Exact Mass: 526.241412
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Pan, Y.L., Lo, K.L., Wang, S.S., Chang, Y.T., Wang, L.T., Lin, Y.C. Chem Pharm Bull (2003) 51, 867-9
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) | 68.3 |
| 2 (CH) | 69.2 |
| 3 (CH) | 45.5 |
| 4 (C) | 80.2 |
| 5 (CH) | 85.6 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 70.5 |
| 8 (C) | 43 |
| 9 (CH) | 78.8 |
| 10 (CH) | 69.5 |
| 11 (C) | 138.3 |
| 12 (C) | 147.4 |
| 13 (CH) | 77.4 |
| 14 (CH2) | 38.5 |
| 15 (C) | 76.3 |
| 16 (CH3) | 25 |
| 17 (CH3) | 28.4 |
| 18 (CH3) | 11.5 |
| 19 (CH3) | 12.5 |
| 20 (CH2) | 75 |
| 2a (C) | 170 |
| 2b (CH3) | 21.9 |
| 4a (C) | 170.5 |
| 4b (CH3) | 22 |
| 7a (C) | 171.6 |
| 7b (CH3) | 22.7 |
