Spektraris NMR
3,7-di-O-acetyl-14,15-deoxyhavanensin
Common Name: 3,7-di-O-acetyl-14,15-deoxyhavanensin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O8/c1-17(33)38-25-15-27(40-19(3)35)32(8)23-11-12-30(6)21(20-13-28(36)37-16-20)9-10-22(30)31(23,7)26(39-18(2)34)14-24(32)29(25,4)5/h10,13,21,23-27H,9,11-12,14-16H2,1-8H3/t21-,23-,24-,25+,26+,27-,30-,31-,32+/m0/s1
InChIKey: InChIKey=VMWXGZIVWHPTMZ-FKGSKRNKSA-N
Formula: C32H44O8
Molecular Weight: 556.688181
Exact Mass: 556.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 72.35 |
| 2 (CH2) | 25.47 |
| 3 (CH) | 75.98 |
| 4 (C) | 35.24 |
| 5 (CH) | 37.08 |
| 6 (CH2) | 22.79 |
| 7 (CH) | 74.93 |
| 8 (C) | 42.29 |
| 9 (CH) | 35.9 |
| 10 (C) | 40.07 |
| 11 (CH2) | 15.65 |
| 12 (CH2) | 33.59 |
| 13 (C) | 47.66 |
| 14 (C) | 158.49 |
| 15 (CH) | 118.78 |
| 16 (CH2) | 32.99 |
| 17 (CH) | 54.31 |
| 18 (CH3) | 21.62 |
| 19 (CH3) | 15.88 |
| 20 (C) | 169.7 |
| 21 (CH2) | 73.28 |
| 22 (CH) | 116.92 |
| 23 (C) | 173.74 |
| 28 (CH3) | 27.38 |
| 29 (CH3) | 20.39 |
| 30 (CH3) | 27.06 |
| 1a (C) | 169.86 |
| 1b (CH3) | 21.1 |
| 3a (C) | 170.07 |
| 3b (CH3) | 21.16 |
| 7a (C) | 169.93 |
| 7b (CH3) | 21.19 |
