Spektraris NMR
Tasumatrols A
Common Name: Tasumatrols A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O10/c1-14(2)26-11-18(31)15(3)21(26)29(35)25(34)37-12-27(29)19(32)10-20-28(13-36-20,39-16(4)30)22(27)23(26)38-24(33)17-8-6-5-7-9-17/h5-9,14,18-20,22-23,31-32,35H,10-13H2,1-4H3/t18-,19-,20+,22+,23-,26-,27+,28-,29+/m0/s1
InChIKey: InChIKey=SEHSSQKSQSSKMV-NWLOSJHKSA-N
Formula: C29H34O10
Molecular Weight: 542.575376
Exact Mass: 542.215197
NMR Solvent: CDCl3
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) | 61.4 |
| 2 (CH) | 69 |
| 3 (CH) | 41.6 |
| 4 (C) | 80.2 |
| 5 (CH) | 84.3 |
| 6 (CH2) | 35.8 |
| 7 (CH) | 69.5 |
| 8 (C) | 50.5 |
| 9 (C) | 80.4 |
| 10 (C) | 177 |
| 11 (C) | 134.5 |
| 12 (C) | 148 |
| 13 (CH) | 79.2 |
| 14 (CH2) | 41.1 |
| 15 (CH) | 76.5 |
| 16 (CH3) | 26.7 |
| 17 (CH3) | 26.8 |
| 18 (CH3) | 14.5 |
| 19 (CH2) | 66.8 |
| 20 (CH2) | 74.3 |
| 2a (C) | 164.6 |
| 2b (C) | 134.5 |
| 2c (CH) | 129.5 |
| 2d (CH) | 128.6 |
| 2e (CH) | 133.4 |
| 2f (CH) | 128.6 |
| 2g (CH) | 129.5 |
| 4a (C) | 169.7 |
| 4b (CH3) | 20.8 |
