Spektraris NMR
5,10,13-acetyl-10-debenzoyl brevifoliol
Common Name: 5,10,13-acetyl-10-debenzoyl brevifoliol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O11/c1-14-21-12-30(28(8,9)36)13-23(38-17(4)32)15(2)25(30)26(40-19(6)34)27(41-20(7)35)29(21,10)24(39-18(5)33)11-22(14)37-16(3)31/h21-24,26-27,36H,1,11-13H2,2-10H3/t21-,22+,23+,24+,26-,27+,29+,30+/m1/s1
InChIKey: InChIKey=JKTMDTDVVTZUPC-BYMXLENQSA-N
Formula: C30H42O11
Molecular Weight: 578.649043
Exact Mass: 578.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chattopadhyay, S.K., Tripathi, V., Sharma, R.P., Shawl, A.S., Joshi, B.S., Roy, R. Phytochemistry (1999) 50, 131-3
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) | 62.7 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 38.6 |
| 4 (C) | 145.2 |
| 5 (CH) | 74 |
| 6 (CH2) | 33.8 |
| 7 (CH) | 69.6 |
| 8 (C) | 44.7 |
| 9 (CH) | 76.6 |
| 10 (CH) | 69.2 |
| 11 (C) | 136.6 |
| 12 (C) | 146.3 |
| 13 (CH) | 79.3 |
| 14 (CH2) | 44 |
| 15 (C) | 75.3 |
| 16 (CH3) | 24.7 |
| 17 (CH3) | 29.6 |
| 18 (CH3) | 11.6 |
| 19 (CH3) | 12.8 |
| 20 (CH2) | 114.2 |
| 5a (C) | 167.8 |
| 5b (CH3) | 20.7 |
| 7a (C) | 169.5 |
| 7b (CH3) | 20.8 |
| 9a (C) | 169.7 |
| 9b (CH3) | 20.9 |
| 10a (C) | 169.8 |
| 10b (CH3) | 21.1 |
| 13a (C) | 170.5 |
| 13b (CH3) | 21.3 |
