Spektraris NMR
Machilaminoside A
Common Name: Machilaminoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56N2O12/c1-32(2)16-9-10-21-34(5)13-18(41)28(37(8,49)23-12-22(33(3,4)48)38-31(47)39-23)35(34,6)14-24(42)36(21,7)17(16)11-19(29(32)46)50-30-27(45)26(44)25(43)20(15-40)51-30/h9,11,17-18,20-23,25-28,30,40-41,43-45,48-49H,10,12-15H2,1-8H3,(H2,38,39,47)/t17-,18-,20-,21+,22-,23?,25-,26+,27-,28+,30-,34+,35-,36+,37+/m1/s1
InChIKey: InChIKey=NEBOOSUOSRPRDK-JPGRKUHPSA-N
Formula: C37H56N2O12
Molecular Weight: 720.848256
Exact Mass: 720.383325
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Liu, M.T., Lin, S., Wang, Y.H., He, W.Y., Li, S., Wang, S.J., Yang, Y.C., Shi, J.G. Org Lett (2007) 9, 129-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 120.5 |
| 2 (C) | 145.3 |
| 3 (C) | 196 |
| 4 (C) | 48.6 |
| 5 (C) | 136.1 |
| 6 (CH) | 120.3 |
| 7 (CH2) | 23.3 |
| 8 (CH) | 41 |
| 9 (C) | 48.1 |
| 10 (CH) | 34.6 |
| 11 (C) | 214.1 |
| 12 (CH2) | 48.7 |
| 13 (C) | 50 |
| 14 (C) | 47.5 |
| 15 (CH2) | 44.9 |
| 16 (CH) | 70.1 |
| 17 (CH) | 56.6 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 19.8 |
| 20 (C) | 72.3 |
| 21 (CH3) | 25.9 |
| 22 (CH) | 145.1 |
| 23 (CH2) | 90.2 |
| 24 (CH) | 59.8 |
| 25 (C) | 72.7 |
| 26 (CH3) | 25.3 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 26.9 |
| 29 (CH3) | 20.3 |
| 30 (CH3) | 17.5 |
| 1' (CH) | 98.6 |
| 2' (CH) | 72.8 |
| 3' (CH) | 76.8 |
| 4' (CH) | 68.9 |
| 5' (CH) | 76.9 |
| 6' (CH2) | 60 |
| 1'' (C) | 154.2 |
