Spektraris NMR
2a,5a,9a,10b,14b-Pentaacetoxytaxa-4(20),11-diene
Common Name: 2a,5a,9a,10b,14b-Pentaacetoxytaxa-4(20),11-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O10/c1-14-13-22(37-17(4)32)25-26(38-18(5)33)24-15(2)21(36-16(3)31)11-12-30(24,10)28(40-20(7)35)27(39-19(6)34)23(14)29(25,8)9/h21-22,24-28H,2,11-13H2,1,3-10H3/t21-,22-,24-,25-,26-,27+,28-,30+/m0/s1
InChIKey: InChIKey=MDPMMMYRDXOPQH-ZARNYMJHSA-N
Formula: C30H42O10
Molecular Weight: 562.649638
Exact Mass: 562.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, S.J., Fang, J.M., Cheng, Y.S. Phytochemistry (1996) 43, 839-42
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) | 58.4 |
| 2 (CH) | 70.2 |
| 3 (CH) | 44.2 |
| 4 (C) | 141.3 |
| 5 (CH) | 78.3 |
| 6 (CH2) | 28.3 |
| 7 (CH2) | 27.2 |
| 8 (C) | 44.8 |
| 9 (CH) | 76.7 |
| 10 (CH) | 72.4 |
| 11 (C) | 132.7 |
| 12 (C) | 137.2 |
| 13 (CH2) | 39.4 |
| 14 (CH) | 69.8 |
| 15 (C) | 36.9 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 31.6 |
| 18 (CH3) | 21 |
| 19 (CH3) | 17.3 |
| 20 (CH2) | 118.3 |
