Spektraris NMR
Tasumatrol G
Common Name: Tasumatrol G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-19(4)36)31(7)22(42-17(2)34)13-23(43-18(3)35)33(15-41-28(32)26(31)33)45-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1
InChIKey: InChIKey=LCDWFTPHRBHOQJ-KNIUGVHDSA-N
Formula: C33H42O12
Molecular Weight: 630.680655
Exact Mass: 630.267627
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) | 65.7 |
| 2 (CH) | 71.8 |
| 3 (CH) | 36.4 |
| 4 (C) | 81.1 |
| 5 (CH) | 72.2 |
| 6 (CH2) | 29.1 |
| 7 (CH) | 69.4 |
| 8 (C) | 43.5 |
| 9 (CH) | 76.4 |
| 10 (CH) | 67.2 |
| 11 (C) | 134 |
| 12 (C) | 147.6 |
| 13 (CH) | 75.5 |
| 14 (CH2) | 41 |
| 15 (C) | 75.8 |
| 16 (CH3) | 26.9 |
| 17 (CH3) | 27.2 |
| 18 (CH3) | 12.1 |
| 19 (CH3) | 14.6 |
| 20 (CH2) | 70.2 |
| 4a (C) | 164.9 |
| 4b (C) | 134 |
| 4c (CH) | 129.8 |
| 4d (CH) | 128.5 |
| 4e (CH) | 133.1 |
| 4f (CH) | 128.5 |
| 4g (CH) | 129.8 |
| 5a (C) | 169.3 |
| 5b (CH3) | 20 |
| 7a (C) | 169 |
| 7b (CH3) | 20.1 |
| 9a (C) | 169 |
| 9b (CH3) | 21.4 |
