Spektraris NMR
2a,5a,7b,13a-Tetraacetoxy-10b-hydroxyl-2(3-->20)abeotaxane-9-one
Common Name: 2a,5a,7b,13a-Tetraacetoxy-10b-hydroxyl-2(3-->20)abeotaxane-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O10/c1-13-20(35-14(2)29)10-19-22(37-16(4)31)9-18-12-28(8,26(34)25(33)24(13)27(19,6)7)23(38-17(5)32)11-21(18)36-15(3)30/h9,19-23,25,33H,10-12H2,1-8H3/b18-9+/t19-,20-,21-,22-,23-,25+,28-/m0/s1
InChIKey: InChIKey=GZWOMXLDPAAKLO-IANSKHESSA-N
Formula: C28H38O10
Molecular Weight: 534.596403
Exact Mass: 534.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Q.W., Oritani, T., Sugiyama, T. Phytochemistry (1999) 52, 1559-63
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) | 47.2 |
| 2 (CH) | 71.01 |
| 3 (CH2) | 35.24 |
| 4 (C) | 136.07 |
| 5 (CH) | 76.72 |
| 6 (CH2) | 32.07 |
| 7 (CH) | 70.81 |
| 8 (C) | 52.89 |
| 9 (C) | 211.98 |
| 10 (CH) | 77.01 |
| 11 (C) | 131.68 |
| 12 (C) | 132.25 |
| 13 (CH) | 69.71 |
| 14 (CH2) | 27.26 |
| 15 (C) | 37.69 |
| 16 (CH3) | 32.16 |
| 17 (CH3) | 24.7 |
| 18 (CH3) | 16.62 |
| 19 (CH3) | 21.01 |
| 20 (CH) | 124.55 |
| 2a (C) | 169.34 |
| 2b (CH3) | 21.41 |
| 5a (C) | 170.02 |
| 5b (CH3) | 20.59 |
| 7a (C) | 170.3 |
| 7b (CH3) | 21.56 |
| 13a (C) | 170.47 |
| 13b (CH3) | 21.4 |
