Spektraris NMR
(1S)-2alpha,9alpha,15-Triacetoxy-1,11-cyclo-11,15-secotaxa-11,4(20)-diene-5alpha,7beta,10beta,13alpha-tetrol
Common Name: (1S)-2alpha,9alpha,15-Triacetoxy-1,11-cyclo-11,15-secotaxa-11,4(20)-diene-5alpha,7beta,10beta,13alpha-tetrol
Synonyms: (1S)-2alpha,9alpha,15-Triacetoxy-1,11-cyclo-11,15-secotaxa-11,4(20)-diene-5alpha,7beta,10beta,13alpha-tetrol
CAS Registry Number:
InChI: InChI=1S/C26H38O10/c1-11-16(30)9-18(32)25(8)20(11)22(34-13(3)27)26(24(6,7)36-15(5)29)10-17(31)12(2)19(26)21(33)23(25)35-14(4)28/h16-18,20-23,30-33H,1,9-10H2,2-8H3/t16-,17-,18-,20-,21+,22-,23-,25+,26-/m0/s1
InChIKey: InChIKey=SPZNJROAHQUYLY-ICGYVOCMSA-N
Formula: C26H38O10
Molecular Weight: 510.574931
Exact Mass: 510.246497
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) | 67.3 |
| 2 (CH) | 71.7 |
| 3 (CH) | 45.9 |
| 4 (C) | 149.3 |
| 5 (CH) | 68.8 |
| 6 (CH2) | 36.6 |
| 7 (CH) | 72.7 |
| 8 (C) | 43 |
| 9 (CH) | 77.4 |
| 10 (CH) | 66.5 |
| 11 (C) | 135 |
| 12 (C) | 148.8 |
| 13 (CH) | 77.9 |
| 14 (CH2) | 41.7 |
| 15 (C) | 76.3 |
| 16 (CH3) | 21 |
| 17 (CH3) | 21.7 |
| 18 (CH3) | 12.7 |
| 19 (CH3) | 14.9 |
| 20 (CH2) | 114.1 |
| 2a (C) | 173 |
| 2b (CH3) | 28.1 |
| 9a (C) | 172 |
| 9b (CH3) | 28.2 |
| 15a (C) | 172.1 |
| 15b (CH3) | 26.8 |
