Spektraris NMR
Taxuspinanane B
Common Name: Taxuspinanane B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O11/c1-16-22(37)14-24(41-18(3)34)32(8)26(16)28(42-19(4)35)33(31(6,7)40)15-23(38)17(2)25(33)27(29(32)43-20(5)36)44-30(39)21-12-10-9-11-13-21/h9-13,22,24,26-29,37,40H,1,14-15H2,2-8H3/t22-,24-,26-,27+,28-,29-,32+,33-/m0/s1
InChIKey: InChIKey=CXSZDWCQWKJJEB-AGSJQTBMSA-N
Formula: C33H40O11
Molecular Weight: 612.665369
Exact Mass: 612.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morita, H., Gonda, A., Wei, L., Yamamura, Y., Takeya, K., Itokawa, H. J Nat Prod (1997) 60, 390-2
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) | 62.66 |
| 2 (CH) | 68.92 |
| 3 (CH) | 45.4 |
| 4 (C) | 146.37 |
| 5 (CH) | 65.67 |
| 6 (CH2) | 35.78 |
| 7 (CH) | 70.57 |
| 8 (C) | 43.77 |
| 9 (CH) | 74.34 |
| 10 (CH) | 70.51 |
| 11 (C) | 148.11 |
| 12 (C) | 160.99 |
| 13 (C) | 206.87 |
| 14 (CH2) | 44.66 |
| 15 (C) | 75.6 |
| 16 (CH3) | 28.46 |
| 17 (CH3) | 27.56 |
| 18 (CH3) | 9.39 |
| 19 (CH3) | 14.45 |
| 20 (CH2) | 114.14 |
| 2a (C) | 170.26 |
| 2b (CH3) | 21.67 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.01 |
| 9a (C) | 169.53 |
| 9b (CH3) | 20.65 |
| 10a (C) | 165.34 |
| 10b (C) | 133.64 |
| 10c (CH) | 128.82 |
| 10d (CH) | 129.74 |
| 10e (CH) | 129.32 |
| 10f (CH) | 129.74 |
| 10g (CH) | 128.82 |
