Spektraris NMR
Tasumatrol O
Common Name: Tasumatrol O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O12/c1-15-19(35)12-30(28(4,5)39)22(15)23(41-16(2)33)25(37)29(13-32)20(36)11-21-31(14-40-21,43-17(3)34)24(29)26(30)42-27(38)18-9-7-6-8-10-18/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,26-,29+,30-,31-/m0/s1
InChIKey: InChIKey=ZYQSVBKXXSAVLN-JQULDETKSA-N
Formula: C31H38O12
Molecular Weight: 602.627421
Exact Mass: 602.236327
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Hsu, S.M., Lin, Y.S., Cheng, K.C., Chien, C.T., Chou, C.H., Cheng, Y.B. Chem Pharm Bull (2005) 53, 808-10
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) | 68.5 |
| 2 (CH) | 69 |
| 3 (CH) | 44.9 |
| 4 (C) | 79 |
| 5 (CH) | 85.2 |
| 6 (CH2) | 38.8 |
| 7 (CH) | 74.2 |
| 8 (C) | 58.1 |
| 9 (C) | 205.6 |
| 10 (CH) | 71.9 |
| 11 (C) | 129.6 |
| 12 (C) | 151.4 |
| 13 (CH) | 76.4 |
| 14 (CH2) | 38.9 |
| 15 (C) | 75.1 |
| 16 (CH3) | 25 |
| 17 (CH3) | 27.1 |
| 18 (CH3) | 11.4 |
| 19 (CH2) | 61.7 |
| 20 (CH2) | 74.9 |
| 2a (C) | 165.8 |
| 2b (C) | 133.7 |
| 2c (CH) | 129.7 |
| 2d (CH) | 128.6 |
| 2e (CH) | 133 |
| 2f (CH) | 128.6 |
| 2g (CH) | 129.7 |
| 4a (C) | 168.7 |
| 4b (CH3) | 20.4 |
| 10a (C) | 170.6 |
| 10b (CH3) | 22 |
