Spektraris NMR
Micrandilactone F
Common Name: Micrandilactone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O10/c1-12-18-19(35-22(12)32)17-20-25(4,23(33)26(17,5)34)8-9-27-11-28-14(24(2,3)36-15(28)10-16(30)37-28)7-6-13(27)21(31)29(20,38-18)39-27/h6,12,14-15,17-20,34H,7-11H2,1-5H3/t12-,14-,15+,17+,18+,19+,20-,25-,26-,27-,28+,29-/m1/s1
InChIKey: InChIKey=OQVDYQZQKJDATC-CPFKASHUSA-N
Formula: C29H34O10
Molecular Weight: 542.575376
Exact Mass: 542.215197
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) | 80.4 |
| 2 (CH2) | 35.3 |
| 3 (C) | 175.2 |
| 4 (C) | 83.2 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 135.5 |
| 8 (C) | 137.9 |
| 9 (C) | 82.2 |
| 10 (C) | 94.9 |
| 11 (CH2) | 39 |
| 12 (CH2) | 31 |
| 13 (C) | 49 |
| 14 (C) | 198.5 |
| 15 (C) | 98.5 |
| 16 (CH) | 44.2 |
| 17 (C) | 221.7 |
| 18 (CH3) | 28.2 |
| 19 (CH2) | 42.5 |
| 20 (C) | 76.3 |
| 21 (CH3) | 20.9 |
| 22 (CH) | 43.7 |
| 23 (CH) | 74.1 |
| 24 (CH) | 70.4 |
| 25 (CH) | 42.4 |
| 26 (C) | 177.8 |
| 27 (CH3) | 8.4 |
| 28 (CH3) | 20.4 |
| 29 (CH3) | 27.5 |
