Spektraris NMR
Tasumatrol E
Common Name: Tasumatrol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O13/c1-16-21(37)14-32(30(5,6)41)24(16)25(38)28(46-29(40)20-11-9-8-10-12-20)31(7)22(44-18(3)35)13-23(45-19(4)36)33(42,15-43-17(2)34)26(31)27(32)39/h8-12,21-23,25-28,37-39,41-42H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1
InChIKey: InChIKey=LERGIFKZIYQODU-KNIUGVHDSA-N
Formula: C33H44O13
Molecular Weight: 648.695942
Exact Mass: 648.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Cheng, K.C., Lin, Y.C., Cheng, Y.B., Khalil, A.T., Guh, J.H., Chien, C.T., Teng, C.M., Chang, Y.T. J Nat Prod (2005) 68, 90-3
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) | 69.5 |
| 2 (CH) | 65.5 |
| 3 (CH) | 45.1 |
| 4 (C) | 77 |
| 5 (CH) | 71.4 |
| 6 (CH2) | 29 |
| 7 (CH) | 69.7 |
| 8 (C) | 43.5 |
| 9 (CH) | 81 |
| 10 (CH) | 67.4 |
| 11 (C) | 139.9 |
| 12 (C) | 145.4 |
| 13 (CH) | 76.4 |
| 14 (CH2) | 39 |
| 15 (C) | 74.5 |
| 16 (CH3) | 27.4 |
| 17 (CH3) | 28.4 |
| 18 (CH3) | 11.6 |
| 19 (CH3) | 15.9 |
| 20 (CH2) | 62.6 |
| 5a (C) | 170.2 |
| 5b (CH3) | 20.9 |
| 7a (C) | 170.8 |
| 7b (CH3) | 21.3 |
| 9a (C) | 165.7 |
| 9b (C) | 134.5 |
| 9c (CH) | 129.6 |
| 9d (CH) | 128.3 |
| 9e (CH) | 133.6 |
| 9f (CH) | 128.3 |
| 9g (CH) | 129.6 |
| 20a (C) | 171.1 |
| 20b (CH3) | 21.5 |
