Spektraris NMR
9b,19-cyclolanost-24E-ene-3b,6a,16b,27-tetraol-3-Ob-D-glucopyranoside
Common Name: 9b,19-cyclolanost-24E-ene-3b,6a,16b,27-tetraol-3-Ob-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O9/c1-19(16-37)8-7-9-20(2)26-22(40)15-34(6)24-14-21(39)30-32(3,4)25(45-31-29(43)28(42)27(41)23(17-38)44-31)10-11-36(30)18-35(24,36)13-12-33(26,34)5/h8,20-31,37-43H,7,9-18H2,1-6H3/b19-8+/t20-,21+,22+,23-,24+,25+,26-,27-,28+,29-,30+,31+,33-,34+,35+,36-/m1/s1
InChIKey: InChIKey=GYNDYWZTPHTLEL-UBZYQGNFSA-N
Formula: C36H60O9
Molecular Weight: 636.857582
Exact Mass: 636.423734
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Radwan, M.M., El-Sebakhy, N.A., Asaad, A.M., Toaima, S.M., Kingston, D.G. Phytochemistry (2004) 65, 2909-13
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.4 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 89.1 |
| 4 (C) | 42.6 |
| 5 (CH) | 54.1 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 38.5 |
| 8 (CH) | 46.9 |
| 9 (C) | 21.3 |
| 10 (C) | 29.2 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 33.3 |
| 13 (C) | 45.8 |
| 14 (C) | 47 |
| 15 (CH2) | 49.2 |
| 16 (CH) | 71.3 |
| 17 (CH) | 57 |
| 18 (CH3) | 19 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 30.8 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 36.8 |
| 23 (CH2) | 25.6 |
| 24 (CH) | 125.9 |
| 25 (C) | 135.3 |
| 26 (CH2) | 68.3 |
| 27 (CH3) | 14 |
| 28 (CH3) | 29 |
| 29 (CH3) | 16.7 |
| 30 (CH3) | 20.2 |
| 1' (CH) | 107 |
| 2' (CH) | 76 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63.1 |
