Spektraris NMR
(1S)-5alpha,9alpha,10beta,13alpha-Tetraacetoxy-1,11-cyclo-11,15-secotaxa-11,4(20)-diene-15-ol
Common Name: (1S)-5alpha,9alpha,10beta,13alpha-Tetraacetoxy-1,11-cyclo-11,15-secotaxa-11,4(20)-diene-15-ol
Synonyms: (1S)-5alpha,9alpha,10beta,13alpha-Tetraacetoxy-1,11-cyclo-11,15-secotaxa-11,4(20)-diene-15-ol
CAS Registry Number:
InChI: InChI=1S/C28H40O9/c1-14-20-12-28(26(7,8)33)13-22(35-17(4)30)15(2)23(28)24(36-18(5)31)25(37-19(6)32)27(20,9)11-10-21(14)34-16(3)29/h20-22,24-25,33H,1,10-13H2,2-9H3/t20-,21+,22+,24-,25+,27-,28+/m1/s1
InChIKey: InChIKey=PROFXVGQKORHBE-MIKNCLLVSA-N
Formula: C28H40O9
Molecular Weight: 520.61288
Exact Mass: 520.267233
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Choudhary, M.I., Khan, A.M., Habib ur, R., Atta ur, R., Ashraf, M. Chem Pharm Bull (2002) 50, 1488-90
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) | 64.1 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 41.4 |
| 4 (C) | 148.7 |
| 5 (CH) | 76.6 |
| 6 (CH2) | 28.2 |
| 7 (CH2) | 28.6 |
| 8 (C) | 42.9 |
| 9 (CH) | 79.2 |
| 10 (CH) | 69.9 |
| 11 (C) | 139.3 |
| 12 (C) | 146.8 |
| 13 (CH) | 80.7 |
| 14 (CH2) | 45.2 |
| 15 (C) | 76.7 |
| 16 (CH3) | 26 |
| 17 (CH3) | 27.1 |
| 18 (CH3) | 11.6 |
| 19 (CH3) | 17.2 |
| 20 (CH2) | 112.8 |
| 5a (C) | 171.5 |
| 5b (CH3) | 20.6 |
| 9a (C) | 171.6 |
| 9b (CH3) | 20.7 |
| 10a (C) | 170.9 |
| 10b (CH3) | 21.3 |
| 13a (C) | 172.4 |
| 13b (CH3) | 20.9 |
