Spektraris NMR
2a,9a,10b-Triacetoxy-20-hydroxy-11,12-epoxytaxa-4-en-13-one
Common Name: 2a,9a,10b-Triacetoxy-20-hydroxy-11,12-epoxytaxa-4-en-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-13(28)32-20-17-11-18(31)25(7)26(35-25,23(17,4)5)22(34-15(3)30)21(33-14(2)29)24(6)10-8-9-16(12-27)19(20)24/h9,17,19-22,27H,8,10-12H2,1-7H3/t17-,19-,20+,21-,22-,24+,25+,26-/m0/s1
InChIKey: InChIKey=CTJYQMYAQQWELR-NGVUTHNNSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Petzke, T.L., Shi, Q.W., Sauriol, F., Mamer, O., Zamir, L.O. J Nat Prod (2004) 67, 1864-9
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 (CH) | 48.6 |
| 2 (CH) | 71.4 |
| 3 (CH) | 40.9 |
| 4 (C) | 138 |
| 5 (CH) | 131.2 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 27.2 |
| 8 (C) | 39.6 |
| 9 (CH) | 76.5 |
| 10 (CH) | 71.2 |
| 11 (C) | 65.1 |
| 12 (C) | 59.6 |
| 13 (C) | 208.1 |
| 14 (CH2) | 37.6 |
| 15 (C) | 39.1 |
| 16 (CH3) | 28.7 |
| 17 (CH3) | 25.1 |
| 18 (CH3) | 15 |
| 19 (CH3) | 18 |
| 20 (CH2) | 68 |
