Spektraris NMR
7β,25-Dimethoxycucurbita-5(6),23(E)-dien-19-al 3-O-β-D-allopyranoside
Common Name: 7β,25-Dimethoxycucurbita-5(6),23(E)-dien-19-al 3-O-β-D-allopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H62O9/c1-22(11-10-15-34(2,3)45-9)23-14-16-37(7)32-26(44-8)19-25-24(38(32,21-40)18-17-36(23,37)6)12-13-28(35(25,4)5)47-33-31(43)30(42)29(41)27(20-39)46-33/h10,15,19,21-24,26-33,39,41-43H,11-14,16-18,20H2,1-9H3/b15-10+/t22-,23-,24-,26+,27-,28+,29-,30-,31-,32+,33+,36-,37+,38-/m1/s1
InChIKey: InChIKey=CHJLMGVNNACJNJ-RECKLKTJSA-N
Formula: C38H62O9
Molecular Weight: 662.894935
Exact Mass: 662.439384
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) | 22 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 86.7 |
| 4 (C) | 41.7 |
| 5 (C) | 147.3 |
| 6 (CH) | 120.4 |
| 7 (CH) | 75.4 |
| 8 (CH) | 45.5 |
| 9 (C) | 49.8 |
| 10 (CH) | 36.5 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 29 |
| 13 (C) | 45.6 |
| 14 (C) | 47.6 |
| 15 (CH2) | 34.7 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 14.7 |
| 19 (CH) | 206.9 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 39.5 |
| 23 (CH) | 128.2 |
| 24 (CH) | 137.5 |
| 25 (C) | 74.6 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 26.2 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 25.8 |
| 30 (CH3) | 17.9 |
| 1' (CH) | 104.5 |
| 2' (CH) | 71.9 |
| 3' (CH) | 73.2 |
| 4' (CH) | 68.9 |
| 5' (CH) | 75.5 |
| 6' (CH2) | 63 |
| 7a (CH3) | 55.7 |
| 25a (CH3) | 50 |
