Spektraris NMR
2-Deacetyl taxachitriene A
Common Name: 2-Deacetyl taxachitriene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O12/c1-14-25(39-17(4)32)11-22-24(37)10-21(13-38-16(3)31)23(36)12-26(40-18(5)33)15(2)28(41-19(6)34)29(42-20(7)35)27(14)30(22,8)9/h10,22-26,29,36-37H,11-13H2,1-9H3/b21-10-,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1
InChIKey: InChIKey=ARCDGVGZYWJKDA-XMEDSGMUSA-N
Formula: C30H42O12
Molecular Weight: 594.648448
Exact Mass: 594.267627
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Q.W., Oritani, T., Sugiyama, T., Kiyota, H. J Nat Prod (1998) 61, 1437-40
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) | 47.68 |
| 2 (CH) | 69.1 |
| 3 (CH) | 130.2 |
| 4 (C) | 133.83 |
| 5 (CH) | 69.1 |
| 6 (CH2) | 37.16 |
| 7 (CH) | 68.05 |
| 8 (C) | 122.95 |
| 9 (C) | 144.63 |
| 10 (CH) | 67.42 |
| 11 (C) | 135.67 |
| 12 (C) | 136.15 |
| 13 (CH) | 65.87 |
| 14 (CH2) | 24.76 |
| 15 (C) | 35.89 |
| 16 (CH3) | 34.03 |
| 17 (CH3) | 24.13 |
| 18 (CH3) | 16.85 |
| 19 (CH3) | 11.99 |
| 20 (CH2) | 59.38 |
| 7a (C) | 171.54 |
| 7b (CH3) | 20.99 |
| 9a (C) | 171.12 |
| 9b (CH3) | 21.27 |
| 10a (C) | 168.05 |
| 10b (CH3) | 21.59 |
| 13a (C) | 170.63 |
| 13b (CH3) | 21.02 |
| 20a (C) | 171.12 |
| 20b (CH3) | 21.27 |
