Spektraris NMR
2a-Acetoxy-9a-benzoyloxy-5a,7b,10b,15-tetrahydroxy-11(15-->1)-abeotaxa-4(20),11-dien-13-one
Common Name: 2a-Acetoxy-9a-benzoyloxy-5a,7b,10b,15-tetrahydroxy-11(15-->1)-abeotaxa-4(20),11-dien-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O9/c1-14-18(31)12-20(33)28(6)22(14)24(37-16(3)30)29(27(4,5)36)13-19(32)15(2)21(29)23(34)25(28)38-26(35)17-10-8-7-9-11-17/h7-11,18,20,22-25,31,33-34,36H,1,12-13H2,2-6H3/t18-,20-,22-,23+,24-,25-,28+,29-/m0/s1
InChIKey: InChIKey=UQYLAJTXHQHIIU-ZUFPGJQMSA-N
Formula: C29H36O9
Molecular Weight: 528.591853
Exact Mass: 528.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nguyen, N.T., Banskota, A.H., Tezuka, Y., Nobukawa, T., Kadota, S. Phytochemistry (2003) 64, 1141-7
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) | 64.3 |
| 2 (CH) | 70 |
| 3 (CH) | 47.6 |
| 4 (C) | 149 |
| 5 (CH) | 66.9 |
| 6 (CH2) | 40 |
| 7 (CH) | 69.6 |
| 8 (C) | 46.1 |
| 9 (CH) | 78.7 |
| 10 (CH) | 70 |
| 11 (C) | 167.7 |
| 12 (C) | 145.4 |
| 13 (C) | 209.5 |
| 14 (CH2) | 45 |
| 15 (C) | 76 |
| 16 (CH3) | 27.6 |
| 17 (CH3) | 28.6 |
| 18 (CH3) | 9.3 |
| 19 (CH3) | 13.9 |
| 20 (CH2) | 113.9 |
| 2a (C) | 171.8 |
| 2b (CH3) | 21.7 |
| 9a (C) | 166.5 |
| 9b (C) | 131.2 |
| 9c (CH) | 130.6 |
| 9d (CH) | 129.8 |
| 9e (CH) | 134.6 |
| 9f (CH) | 129.8 |
| 9g (CH) | 130.6 |
