Spektraris NMR
Tasumatrol F
Common Name: Tasumatrol F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O12/c1-16-22(37)14-33(31(5,6)41)25(16)27(38)29(45-30(40)20-11-9-8-10-12-20)32(7)24(44-19(4)36)13-23(43-18(3)35)21(15-42-17(2)34)26(32)28(33)39/h8-12,21-24,26-29,37-39,41H,13-15H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,32-,33+/m1/s1
InChIKey: InChIKey=WYKZKHDIJKKRNQ-VEHPFIPQSA-N
Formula: C33H44O12
Molecular Weight: 632.696537
Exact Mass: 632.283277
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) | 68.9 |
| 2 (CH) | 65.6 |
| 3 (CH) | 41 |
| 4 (CH) | 41.3 |
| 5 (CH) | 70.4 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 69.6 |
| 8 (C) | 44.9 |
| 9 (CH) | 82.1 |
| 10 (CH) | 68.2 |
| 11 (C) | 138.1 |
| 12 (C) | 145.4 |
| 13 (CH) | 77 |
| 14 (CH2) | 39.9 |
| 15 (C) | 76.5 |
| 16 (CH3) | 27.8 |
| 17 (CH3) | 28.2 |
| 18 (CH3) | 11.2 |
| 19 (CH3) | 14.8 |
| 20 (CH2) | 63.9 |
| 5a (C) | 170.2 |
| 5b (CH3) | 21.1 |
| 7a (C) | 170.3 |
| 7b (CH3) | 21.2 |
| 9a (C) | 167 |
| 9b (C) | 134.7 |
| 9c (CH) | 129.8 |
| 9d (CH) | 128.4 |
| 9e (CH) | 133.2 |
| 9f (CH) | 128.4 |
| 9g (CH) | 129.8 |
| 20a (C) | 171.7 |
| 20b (CH3) | 21.9 |
