Spektraris NMR
10,13-Dibenzoyltaxacustin
Common Name: 10,13-Dibenzoyltaxacustin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H48O14/c1-22-29(54-37(47)27-15-11-9-12-16-27)20-41(39(6,7)49)32(22)33(55-38(48)28-17-13-10-14-18-28)35(52-24(3)44)40(8)30(51-23(2)43)19-31-42(21-50-31,56-26(5)46)34(40)36(41)53-25(4)45/h9-18,29-31,33-36,49H,19-21H2,1-8H3/t29-,30-,31+,33+,34-,35-,36-,40+,41-,42-/m0/s1
InChIKey: InChIKey=HABDCYTZKFMLRY-QSXVJOPHSA-N
Formula: C42H48O14
Molecular Weight: 776.823733
Exact Mass: 776.304406
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, S.S., Pan, Y.L., Lo, K.L., Chakraborty, R., Chien, C.T., Kuo, Y.H., Lin, Y.C. J Nat Prod (2002) 65, 1848-52
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 |
| 2 (CH) | 68.4 |
| 3 (CH) | 44.6 |
| 4 (C) | 79.5 |
| 5 (CH) | 84.8 |
| 6 (CH2) | 34.9 |
| 7 (CH) | 70.7 |
| 8 (C) | 43.8 |
| 9 (CH) | 79.8 |
| 10 (CH) | 68.7 |
| 11 (C) | 136.2 |
| 12 (C) | 148.1 |
| 13 (CH) | 75.7 |
| 14 (CH2) | 37.7 |
| 15 (C) | 74.9 |
| 16 (CH3) | 25.5 |
| 17 (CH3) | 27.8 |
| 18 (CH3) | 12.1 |
| 19 (CH3) | 12.6 |
| 20 (CH2) | 73.9 |
| 2a (C) | 168.7 |
| 2b (CH3) | 20.7 |
| 4a (C) | 169.8 |
| 4b (CH3) | 21.5 |
| 7a (C) | 169.9 |
| 7b (CH3) | 21.8 |
| 9a (C) | 170.4 |
| 9b (CH3) | 25.4 |
| 10a (C) | 170 |
| 10b (C) | 129.8 |
| 10c (CH) | 129.6 |
| 10d (CH) | 128.7 |
| 10e (CH) | 133.5 |
| 10f (CH) | 128.7 |
| 10g (CH) | 129.6 |
| 13a (C) | 170.3 |
| 13b (C) | 130.1 |
| 13c (CH) | 129.7 |
| 13d (CH) | 128.9 |
| 13e (CH) | 133.6 |
| 13f (CH) | 128.9 |
| 13g (CH) | 129.7 |
