Spektraris NMR
Micrandilactone G
Common Name: Micrandilactone G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O10/c1-11-17-20-19(12(2)24(34)35-20)38-29-21(17)26(5,22(11)32)6-7-27(39-29)10-28-14(8-13(30)18(27)23(29)33)25(3,4)36-15(28)9-16(31)37-28/h11-15,17-21,30H,6-10H2,1-5H3/t11-,12-,13+,14-,15+,17+,18+,19+,20+,21-,26-,27-,28+,29-/m1/s1
InChIKey: InChIKey=CWFGQJNQESAHDH-RVGNBIRFSA-N
Formula: C29H36O10
Molecular Weight: 544.591257
Exact Mass: 544.230847
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) | 80.3 |
| 2 (CH2) | 35.9 |
| 3 (C) | 174.8 |
| 4 (C) | 84.3 |
| 5 (CH) | 53.5 |
| 6 (CH2) | 33.8 |
| 7 (CH) | 62.9 |
| 8 (CH) | 55.3 |
| 9 (C) | 80.5 |
| 10 (C) | 97.1 |
| 11 (CH2) | 36.4 |
| 12 (CH2) | 31.5 |
| 13 (C) | 49.9 |
| 14 (C) | 208.7 |
| 15 (C) | 98.9 |
| 16 (CH) | 44.6 |
| 17 (C) | 220.3 |
| 18 (CH3) | 25.7 |
| 19 (CH2) | 44.5 |
| 20 (CH) | 44 |
| 21 (CH3) | 15.1 |
| 22 (CH) | 39.9 |
| 23 (CH) | 75.2 |
| 24 (CH) | 69.1 |
| 25 (CH) | 42 |
| 26 (C) | 177.9 |
| 27 (CH3) | 8.2 |
| 28 (CH3) | 21 |
| 29 (CH3) | 27.9 |
