Spektraris NMR
25-Methoxycucurbita-5(6),23(E)-dien-19-ol 3-O-β-D-allopyranoside
Common Name: 25-Methoxycucurbita-5(6),23(E)-dien-19-ol 3-O-β-D-allopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H62O8/c1-22(10-9-16-33(2,3)43-8)23-15-17-36(7)27-13-11-24-25(37(27,21-39)19-18-35(23,36)6)12-14-28(34(24,4)5)45-32-31(42)30(41)29(40)26(20-38)44-32/h9,11,16,22-23,25-32,38-42H,10,12-15,17-21H2,1-8H3/b16-9+/t22-,23-,25-,26-,27+,28+,29-,30-,31-,32+,35-,36+,37-/m1/s1
InChIKey: InChIKey=KGADYQCSNUQQMW-ZCJMMLTOSA-N
Formula: C37H62O8
Molecular Weight: 634.884794
Exact Mass: 634.444469
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, Y., Ali, A., Khan, I.A. Planta Med (2008) 74, 1291-4
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 (CH2) | 21.7 |
| 2 (CH2) | 28 |
| 3 (CH) | 87.5 |
| 4 (C) | 41.5 |
| 5 (C) | 142.6 |
| 6 (CH) | 119.7 |
| 7 (CH2) | 29.1 |
| 8 (CH) | 34 |
| 9 (C) | 39.3 |
| 10 (CH) | 38.5 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 30.3 |
| 13 (C) | 46.1 |
| 14 (C) | 49.1 |
| 15 (CH2) | 35.3 |
| 16 (CH2) | 24.3 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 15 |
| 19 (CH2) | 65.5 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 39.6 |
| 23 (CH) | 128.4 |
| 24 (CH) | 137.3 |
| 25 (C) | 74.7 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 28 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 18.2 |
| 1' (CH) | 104.5 |
| 2' (CH) | 72 |
| 3' (CH) | 73.1 |
| 4' (CH) | 68.9 |
| 5' (CH) | 75.2 |
| 6' (CH2) | 63 |
| 25a (CH3) | 49.9 |
