Spektraris NMR
9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
Common Name: 9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O10/c1-15-20(34)13-22(39-17(3)32)30(7)24(15)26(40-18(4)33)31(29(5,6)38)14-21(35)16(2)23(31)25(36)27(30)41-28(37)19-11-9-8-10-12-19/h8-12,20-22,24-27,34-36,38H,1,13-14H2,2-7H3/t20-,21-,22-,24-,25+,26-,27-,30+,31-/m0/s1
InChIKey: InChIKey=ZJRNRUMUBVLZKF-SRXXEXFGSA-N
Formula: C31H40O10
Molecular Weight: 572.644492
Exact Mass: 572.262148
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Guo, Y.W., Diallo, B., Jaziri, M., VanhaelenFastre, R., Vanhaelen, M., Ottinger, R. J Nat Prod (1996) 59, 169-72
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) | 67.8 |
| 2 (CH) | 72 |
| 3 (CH) | 46.6 |
| 4 (C) | 149 |
| 5 (CH) | 66.9 |
| 6 (CH2) | 36.9 |
| 7 (CH) | 73.5 |
| 8 (C) | 45.4 |
| 9 (CH) | 77.8 |
| 10 (CH) | 69.3 |
| 11 (C) | 135.6 |
| 12 (C) | 150 |
| 13 (CH) | 78.1 |
| 14 (CH2) | 41.7 |
| 15 (C) | 76.7 |
| 16 (CH3) | 28.4 |
| 17 (CH3) | 27.1 |
| 18 (CH3) | 13.2 |
| 19 (CH3) | 15.3 |
| 20 (CH2) | 114.4 |
| 2a (C) | 172.5 |
| 2b (CH3) | 22 |
| 7a (C) | 172.1 |
| 7b (CH3) | 21.2 |
| 9a (C) | 167.1 |
| 9b (C) | 131.3 |
| 9c (CH) | 131 |
| 9d (CH) | 129.9 |
| 9e (CH) | 134.7 |
| 9f (CH) | 131 |
| 9g (CH) | 131 |
