Spektraris NMR
5a-Cinnamyloxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)-abeotaxa-4-(20),11-dien-9-one
Common Name: 5a-Cinnamyloxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)-abeotaxa-4-(20),11-dien-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O11/c1-20-28(44-21(2)38)17-27-30(45-22(3)39)16-26-19-37(8,35(43)34(47-24(5)41)33(20)36(27,6)7)31(46-23(4)40)18-29(26)48-32(42)15-14-25-12-10-9-11-13-25/h9-16,27-31,34H,17-19H2,1-8H3/b15-14+,26-16+/t27-,28-,29-,30-,31-,34+,37-/m0/s1
InChIKey: InChIKey=DKZXQGOHQYTIFM-ZPRCITIMSA-N
Formula: C37H44O11
Molecular Weight: 664.740076
Exact Mass: 664.288362
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Q., Oritani, T., Sugiyama, T., Murakami, R., Wei, H. J Nat Prod (1999) 62, 1114-8
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 (CH) | 46.8 |
| 2 (CH) | 70.8 |
| 3 (CH2) | 35.5 |
| 4 (C) | 130.8 |
| 5 (CH) | 69.3 |
| 6 (CH2) | 32.7 |
| 7 (CH) | 70 |
| 8 (C) | 53.2 |
| 9 (C) | 205.3 |
| 10 (CH) | 77.9 |
| 11 (C) | 133.2 |
| 12 (C) | 138.6 |
| 13 (CH) | 70.4 |
| 14 (CH2) | 27.4 |
| 15 (C) | 37.9 |
| 16 (CH3) | 29.7 |
| 17 (CH3) | 32.1 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 20.4 |
| 20 (CH) | 124.2 |
| 2a (C) | 170.7 |
| 2b (CH3) | 21.4 |
| 5a (C) | 166.6 |
| 5b (CH) | 117.7 |
| 5c (CH) | 146.3 |
| 5d (C) | 134 |
| 5e (CH) | 129 |
| 5f (CH) | 128.9 |
| 5g (CH) | 129 |
| 5h (CH) | 128.9 |
| 5i (CH) | 129 |
| 7a (C) | 170.5 |
| 7b (CH3) | 21.2 |
| 10a (C) | 169.9 |
| 10b (CH3) | 20.9 |
| 13a (C) | 169.6 |
| 13b (CH3) | 20.8 |
