Spektraris NMR
(3E,7E)-2a,10b,13a-Triacetoxy-5a,20-dihydroxy-3,8-secotaxa-3,7,11-trien-9-one
Common Name: (3E,7E)-2a,10b,13a-Triacetoxy-5a,20-dihydroxy-3,8-secotaxa-3,7,11-trien-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-13-8-9-20(31)18(12-27)10-22(34-16(4)29)19-11-21(33-15(3)28)14(2)23(26(19,6)7)25(24(13)32)35-17(5)30/h8,10,19-22,25,27,31H,9,11-12H2,1-7H3/b13-8-,18-10+/t19-,20-,21-,22-,25+/m0/s1
InChIKey: InChIKey=LCNWHWQWDCQBSE-QJHWJYAYSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Q.W., Oritani, T., Sugiyama, T., Kiyota, H. J Nat Prod (1998) 61, 1437-40
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) | 46.92 |
| 2 (CH) | 69.15 |
| 3 (CH) | 120.27 |
| 4 (C) | 145.46 |
| 5 (CH) | 69.18 |
| 6 (CH2) | 33.69 |
| 7 (CH) | 134.92 |
| 8 (C) | 139.43 |
| 9 (C) | 194.75 |
| 10 (CH) | 76.16 |
| 11 (C) | 140.1 |
| 12 (C) | 133.95 |
| 13 (CH) | 70.12 |
| 14 (CH2) | 23.83 |
| 15 (C) | 37.15 |
| 16 (CH3) | 34.36 |
| 17 (CH3) | 24.69 |
| 18 (CH3) | 17.56 |
| 19 (CH3) | 11.79 |
| 20 (CH2) | 57.37 |
| 2a (C) | 171.4 |
| 2b (CH3) | 21.33 |
| 10a (C) | 169.69 |
| 10b (CH3) | 20.92 |
| 13a (C) | 170.38 |
| 13b (CH3) | 21.72 |
