Spektraris NMR
5α,6α,10β-Tetrahydroxy-2α-acetoxy-4(20),11-taxadiene
Common Name: 5α,6α,10β-Tetrahydroxy-2α-acetoxy-4(20),11-taxadiene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-10-7-13(24)18-20(28-12(3)23)17-11(2)19(27)15(26)9-22(17,6)8-14(25)16(10)21(18,4)5/h13-15,17-20,24-27H,2,7-9H2,1,3-6H3/t13-,14-,15-,17-,18-,19+,20-,22+/m0/s1
InChIKey: InChIKey=BNKKNTLECXVSNY-NWHFLFKBSA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hu, S.H., Tian, X.F., Zhu, W.H., Fang, Q.C. J Nat Prod (1996) 59, 1006-9
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) | 63.98 |
| 2 (CH) | 73.03 |
| 3 (CH) | 40.62 |
| 4 (C) | 146.08 |
| 5 (CH) | 81.4 |
| 6 (CH) | 73.47 |
| 7 (CH2) | 41.56 |
| 8 (C) | 40.91 |
| 9 (CH2) | 48.65 |
| 10 (CH) | 68.08 |
| 11 (C) | 139.1 |
| 12 (C) | 134.96 |
| 13 (CH2) | 42.66 |
| 14 (CH) | 68.32 |
| 15 (C) | 39.04 |
| 16 (CH3) | 26.32 |
| 17 (CH3) | 32.45 |
| 18 (CH3) | 21.23 |
| 19 (CH3) | 25.92 |
| 20 (CH2) | 116.62 |
| 2a (C) | 171.91 |
| 2b (CH3) | 21.55 |
