Spektraris NMR
Marianoside B
Common Name: Marianoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H62O6/c1-21(2)22(3)10-11-23(4)24-14-18-37(9)26-12-13-28-34(5,6)29(16-17-35(28,7)25(26)15-19-36(24,37)8)43-33-32(41)31(40)30(39)27(20-38)42-33/h21,23-24,27-33,38-41H,3,10-20H2,1-2,4-9H3/t23-,24-,27-,28+,29+,30-,31+,32-,33+,35-,36-,37+/m1/s1
InChIKey: InChIKey=PHOVCZWDVRTEJJ-SAMWAVPASA-N
Formula: C37H62O6
Molecular Weight: 602.885984
Exact Mass: 602.45464
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) | 30.9 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 79.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 37 |
| 7 (CH2) | 25.9 |
| 8 (C) | 134.3 |
| 9 (C) | 135 |
| 10 (C) | 37.9 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 30.2 |
| 13 (C) | 44.2 |
| 14 (C) | 50 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 28.6 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 20.8 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 33 |
| 23 (CH2) | 38 |
| 24 (C) | 156.9 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 22 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 14.5 |
| 30 (CH3) | 17.1 |
| 1' (CH) | 101 |
| 2' (CH) | 70 |
| 3' (CH) | 76.3 |
| 4' (CH) | 73 |
| 5' (CH) | 76 |
| 6' (CH2) | 61.3 |
| 24a (CH2) | 106.1 |
