Spektraris NMR
Micrandilactone A
Common Name: Micrandilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O12/c1-11-17-19(37-20(11)33)28(36)21-24(4,22(34)25(28,5)35)6-7-26-10-27-13(23(2,3)38-14(27)9-15(31)39-27)8-12(30)16(26)18(32)29(21,40-17)41-26/h11-14,16-17,19,21,30,35-36H,6-10H2,1-5H3/t11-,12-,13-,14+,16-,17+,19-,21+,24-,25-,26-,27+,28-,29+/m0/s1
InChIKey: InChIKey=GMAMWSYYSPPHAF-APIHYUMDSA-N
Formula: C29H36O12
Molecular Weight: 576.590067
Exact Mass: 576.220677
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Rong-Tao, L., Qin-Shi, Z., Sheng-Hong, L., Quan-Bin, H., Han-Dong, S., Yang, L., Li-Li, Z., Qi-Tai, Z. Org Lett (2003) 0, 1023-6
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) | 81.4 |
| 2 (CH2) | 35 |
| 3 (C) | 175.2 |
| 4 (C) | 83.9 |
| 5 (CH) | 58.3 |
| 6 (CH2) | 36.4 |
| 7 (CH) | 67.8 |
| 8 (CH) | 59.7 |
| 9 (C) | 82.2 |
| 10 (C) | 95.6 |
| 11 (CH2) | 42.3 |
| 12 (CH2) | 32.6 |
| 13 (C) | 49.3 |
| 14 (C) | 207.4 |
| 15 (C) | 99.7 |
| 16 (CH) | 54.1 |
| 17 (C) | 220.7 |
| 18 (CH3) | 30.8 |
| 19 (CH2) | 41.8 |
| 20 (C) | 80.2 |
| 21 (CH3) | 18.9 |
| 22 (C) | 75.5 |
| 23 (CH) | 76.8 |
| 24 (CH) | 75.2 |
| 25 (CH) | 42.5 |
| 26 (C) | 177.5 |
| 27 (CH3) | 7.8 |
| 28 (CH3) | 20.8 |
| 29 (CH3) | 27.7 |
