Spektraris NMR
Marianoside A
Common Name: Marianoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H62O8/c1-21(9-10-22(2)33(3,4)43)23-13-17-37(8)25-11-12-27-34(5,24(25)14-18-36(23,37)7)16-15-28(35(27,6)20-39)45-32-31(42)30(41)29(40)26(19-38)44-32/h21,23,26-32,38-43H,2,9-20H2,1,3-8H3/t21-,23-,26-,27-,28+,29-,30+,31-,32+,34-,35+,36-,37+/m1/s1
InChIKey: InChIKey=BQSKVEDRDUPKAI-ADEYTEBPSA-N
Formula: C37H62O8
Molecular Weight: 634.884794
Exact Mass: 634.444469
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ahmed, E., Malik, A., Ferheen, S., Afza, N., Azhar ul, H., Lodhi, M.A., Choudhary, M.I. Chem Pharm Bull (2006) 54, 103-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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 (CH2) | 30.7 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 78.1 |
| 4 (C) | 36.8 |
| 5 (CH) | 44.4 |
| 6 (CH2) | 37.3 |
| 7 (CH2) | 26.2 |
| 8 (C) | 134.1 |
| 9 (C) | 134.9 |
| 10 (C) | 37.7 |
| 11 (CH2) | 21 |
| 12 (CH2) | 30.9 |
| 13 (C) | 44.7 |
| 14 (C) | 50.1 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 50.9 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 20.9 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 34.8 |
| 23 (CH2) | 31.3 |
| 24 (C) | 156.8 |
| 25 (C) | 72.8 |
| 26 (CH3) | 30.3 |
| 27 (CH3) | 30.01 |
| 28 (CH2) | 65.3 |
| 29 (CH3) | 13.2 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 100.7 |
| 2' (CH) | 70 |
| 3' (CH) | 76.7 |
| 4' (CH) | 73.4 |
| 5' (CH) | 76.6 |
| 6' (CH2) | 61 |
| 24a (CH2) | 106.1 |
