Spektraris NMR
7,10,13-Triacetoxy-5-(3-dimethylamino-3-phenylpropanoyl)oxy-2-hydroxy-2(3,20)abeotaxa-4(20),11-dien-9-one
Common Name: 7,10,13-Triacetoxy-5-(3-dimethylamino-3-phenylpropanoyl)oxy-2-hydroxy-2(3,20)abeotaxa-4(20),11-dien-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H49NO10/c1-20-29(45-21(2)39)16-26-28(42)15-25-19-37(7,35(44)34(47-23(4)41)33(20)36(26,5)6)31(46-22(3)40)18-30(25)48-32(43)17-27(38(8)9)24-13-11-10-12-14-24/h10-15,26-31,34,42H,16-19H2,1-9H3/b25-15+/t26-,27+,28-,29-,30-,31-,34+,37-/m0/s1
InChIKey: InChIKey=RCIUMFLCSOZFND-GGCQEPFQSA-N
Formula: C37H49N1O10
Molecular Weight: 667.787117
Exact Mass: 667.335647
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Shi, Q.W., Si, X.T., Zhao, Y.M., Su, X.H., Li, X., Zamir, L.O., Yamada, T., Kiyota, H. Biosci Biotechnol Biochem (2006) 70, 732-36
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) | 49.8 |
| 2 (CH) | 66.7 |
| 3 (CH2) | 34.7 |
| 4 (C) | 129.3 |
| 5 (CH) | 69.1 |
| 6 (CH2) | 32.1 |
| 7 (CH) | 70.2 |
| 8 (C) | 52.7 |
| 9 (C) | 205.3 |
| 10 (CH) | 77.7 |
| 11 (C) | 128.3 |
| 12 (C) | 138.5 |
| 13 (CH) | 69 |
| 14 (CH2) | 26.2 |
| 15 (C) | 37.4 |
| 16 (CH3) | 24.7 |
| 17 (CH3) | 31.2 |
| 18 (CH3) | 19.6 |
| 19 (CH3) | 16.4 |
| 20 (CH) | 128.5 |
| 1' (C) | 169.3 |
| 2' (CH2) | 37.6 |
| 3' (CH) | 66.7 |
| 4' (C) | 137.1 |
| 5' (CH) | 128.1 |
| 6' (CH) | 128.7 |
| 7' (CH) | 127.4 |
| 8' (CH) | 128.7 |
| 9' (CH) | 128.1 |
| 7a (C) | 169 |
| 7b (CH3) | 20.4 |
| 10a (C) | 168.7 |
| 10b (CH3) | 19.8 |
| 13a (C) | 169.7 |
| 13b (CH3) | 19.8 |
| 3'a (CH3) | 40.7 |
| 3'b (CH3) | 40.7 |
