Spektraris NMR
Taxumairol Z
Common Name: Taxumairol Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O13/c1-16-21(44-18(3)35)13-32(30(5,6)41)24(16)25(38)27(39)31(14-42-17(2)34)22(37)12-23-33(15-43-23,46-19(4)36)26(31)28(32)45-29(40)20-10-8-7-9-11-20/h7-11,21-23,25-28,37-39,41H,12-15H2,1-6H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33-/m0/s1
InChIKey: InChIKey=GUQKKWHZKNIMHL-YWGIOFSDSA-N
Formula: C33H42O13
Molecular Weight: 646.68006
Exact Mass: 646.262541
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Chang, Y.T., Wang, S.S., Lin, Y.C., Chen, C.Y. Chem Pharm Bull (2002) 50, 1561-5
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) | 69.9 |
| 2 (CH) | 70 |
| 3 (CH) | 43.2 |
| 4 (C) | 79.2 |
| 5 (CH) | 84 |
| 6 (CH2) | 35.8 |
| 7 (CH) | 72.5 |
| 8 (C) | 46.5 |
| 9 (CH) | 74.1 |
| 10 (CH) | 69.8 |
| 11 (C) | 136 |
| 12 (C) | 137.8 |
| 13 (CH) | 81.4 |
| 14 (CH2) | 37.2 |
| 15 (C) | 76 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 28.3 |
| 18 (CH3) | 14.9 |
| 19 (CH2) | 62.2 |
| 20 (CH2) | 74.7 |
| 2a (C) | 167.1 |
| 2b (C) | 133.6 |
| 2c (CH) | 129.3 |
| 2d (CH) | 128.6 |
| 2e (CH) | 130 |
| 2f (CH) | 128.6 |
| 2g (CH) | 129.3 |
| 4a (C) | 169.4 |
| 4b (CH3) | 21 |
| 13a (C) | 170.3 |
| 13b (CH3) | 21.2 |
| 19a (C) | 172.8 |
| 19b (CH3) | 21.5 |
