Spektraris NMR
7,9-Dibenzoyltaxumairol P
Common Name: 7,9-Dibenzoyltaxumairol P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H46O13/c1-21-27(49-22(2)41)19-40(47)34-32-38(7,33(53-36(45)26-16-12-9-13-17-26)31(51-24(4)43)30(21)37(40,5)6)28(52-35(44)25-14-10-8-11-15-25)18-29(50-23(3)42)39(32,46)20-48-34/h8-17,27-29,31-34,46-47H,18-20H2,1-7H3/t27-,28-,29-,31+,32-,33-,34-,38+,39-,40+/m0/s1
InChIKey: InChIKey=XHAFKIWZKZKHOE-JFNIHIAOSA-N
Formula: C40H46O13
Molecular Weight: 734.786975
Exact Mass: 734.293842
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 : 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) | 79.2 |
| 2 (CH) | 82.4 |
| 3 (CH) | 47.7 |
| 4 (C) | 81.5 |
| 5 (CH) | 69.3 |
| 6 (CH2) | 31 |
| 7 (CH) | 70.8 |
| 8 (C) | 45.7 |
| 9 (CH) | 77.5 |
| 10 (CH) | 72.3 |
| 11 (C) | 135.2 |
| 12 (C) | 137.8 |
| 13 (CH) | 70.5 |
| 14 (CH2) | 37.3 |
| 15 (C) | 41.6 |
| 16 (CH3) | 27.4 |
| 17 (CH3) | 22.3 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 15.7 |
| 20 (CH2) | 74.4 |
| 5a (C) | 169.5 |
| 5b (CH3) | 20.6 |
| 7a (C) | 165.4 |
| 7b (C) | 132.6 |
| 7c (CH) | 129.6 |
| 7d (CH) | 127.8 |
| 7e (CH) | 128.8 |
| 7f (CH) | 127.8 |
| 7g (CH) | 129.6 |
| 9a (C) | 167.3 |
| 9b (C) | 132.7 |
| 9c (CH) | 130.2 |
| 9d (CH) | 128 |
| 9e (CH) | 129.3 |
| 9f (CH) | 128 |
| 9g (CH) | 130.2 |
| 10a (C) | 169.6 |
| 10b (CH3) | 21.5 |
| 13a (C) | 169.9 |
| 13b (CH3) | 21.6 |
