Spektraris NMR
Micrandilactone E
Common Name: Micrandilactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O11/c1-11-18-19(36-22(11)33)17-20-25(4,23(34)26(17,5)35)6-7-27-10-28-13(24(2,3)37-14(28)9-15(31)38-28)8-12(30)16(27)21(32)29(20,39-18)40-27/h11-14,16-20,30,35H,6-10H2,1-5H3/t11-,12-,13-,14+,16-,17+,18+,19+,20-,25-,26-,27-,28+,29-/m1/s1
InChIKey: InChIKey=ZFXZLDAKWUSRFA-BFJXCHLTSA-N
Formula: C29H36O11
Molecular Weight: 560.590662
Exact Mass: 560.225762
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, R.T., Xiao, W.L., Shen, Y.H., Zhao, Q.S., Sun, H.D. Chem Eur J (2005) 11, 2989-96
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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) | 81.5 |
| 2 (CH2) | 35 |
| 3 (C) | 175.3 |
| 4 (C) | 84 |
| 5 (CH) | 58.3 |
| 6 (CH2) | 36.1 |
| 7 (CH) | 67.9 |
| 8 (CH) | 60 |
| 9 (C) | 81.3 |
| 10 (C) | 96 |
| 11 (CH2) | 41.1 |
| 12 (CH2) | 30.8 |
| 13 (C) | 48.6 |
| 14 (C) | 209.1 |
| 15 (C) | 98.1 |
| 16 (CH) | 43.5 |
| 17 (C) | 221.2 |
| 18 (CH3) | 27.6 |
| 19 (CH2) | 42.3 |
| 20 (C) | 76.4 |
| 21 (CH3) | 20.6 |
| 22 (CH) | 43.5 |
| 23 (CH) | 74.2 |
| 24 (CH) | 70.9 |
| 25 (CH) | 41.9 |
| 26 (C) | 177.5 |
| 27 (CH3) | 7.7 |
| 28 (CH3) | 20.9 |
| 29 (CH3) | 27.8 |
