Spektraris NMR
13-O-Deacetyltaxumairol Z
Common Name: 13-O-Deacetyltaxumairol Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O12/c1-15-19(34)12-30(28(4,5)39)22(15)23(36)25(37)29(13-40-16(2)32)20(35)11-21-31(14-41-21,43-17(3)33)24(29)26(30)42-27(38)18-9-7-6-8-10-18/h6-10,19-21,23-26,34-37,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1
InChIKey: InChIKey=IZPGQOGNFFVNFT-LPRGFTSCSA-N
Formula: C31H40O12
Molecular Weight: 604.643302
Exact Mass: 604.251977
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) | 68.7 |
| 2 (CH) | 79.2 |
| 3 (CH) | 44.2 |
| 4 (C) | 79.9 |
| 5 (CH) | 85.1 |
| 6 (CH2) | 36.9 |
| 7 (CH) | 72 |
| 8 (C) | 45.2 |
| 9 (CH) | 74 |
| 10 (CH) | 68 |
| 11 (C) | 136.6 |
| 12 (C) | 148.1 |
| 13 (CH) | 77.3 |
| 14 (CH2) | 39.8 |
| 15 (C) | 75.9 |
| 16 (CH3) | 27.7 |
| 17 (CH3) | 24.7 |
| 18 (CH3) | 11.5 |
| 19 (CH2) | 61.2 |
| 20 (CH2) | 74.2 |
| 2a (C) | 165 |
| 2b (C) | 130.3 |
| 2c (CH) | 129.7 |
| 2d (CH) | 128.6 |
| 2e (CH) | 133.4 |
| 2f (CH) | 128.6 |
| 2g (CH) | 129.7 |
| 4a (C) | 170.9 |
| 4b (CH3) | 21.3 |
| 19a (C) | 174 |
| 19b (CH3) | 22.3 |
