Spektraris NMR
Taxumairol H
Common Name: Taxumairol H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)45-29(39)20-11-9-8-10-12-20)24(16)25(43-18(3)35)27(44-19(4)36)31(7)23(42-17(2)34)13-22(38)33(40)15-41-28(32)26(31)33/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=BLGTYTHSUARYLI-KNIUGVHDSA-N
Formula: C33H42O12
Molecular Weight: 630.680655
Exact Mass: 630.267627
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, X.Y., Isogai, A., Furihata, K., Lin, Z.W., Sun, H.D., Suzuki, A. Phytochemistry (1994) 35, 820-1
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 |
| 2 (CH) | 80.5 |
| 3 (CH) | 51 |
| 4 (C) | 83 |
| 5 (CH) | 74.1 |
| 6 (CH2) | 31.4 |
| 7 (CH) | 70.8 |
| 8 (C) | 43.7 |
| 9 (CH) | 73.7 |
| 10 (CH) | 69.8 |
| 11 (C) | 133.4 |
| 12 (C) | 149 |
| 13 (CH) | 78.5 |
| 14 (CH2) | 38.9 |
| 15 (C) | 87.9 |
| 16 (CH3) | 24 |
| 17 (CH3) | 25.3 |
| 18 (CH3) | 12.9 |
| 19 (CH3) | 15 |
| 20 (CH2) | 76.3 |
| 7a (C) | 171.2 |
| 7b (CH3) | 21.1 |
| 9a (C) | 169.3 |
| 9b (CH3) | 20.9 |
| 10a (C) | 169 |
| 10b (CH3) | 20.7 |
| 15a (C) | 166 |
| 15b (C) | 132.8 |
| 15c (CH) | 129.4 |
| 15d (CH) | 128.3 |
| 15e (CH) | 132.6 |
| 15f (CH) | 128.3 |
| 15g (CH) | 129.4 |
