Spektraris NMR
Kuguaglycoside B
Common Name: Kuguaglycoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H62O8/c1-21(11-10-15-33(2,3)43-9)22-14-16-37(8)31-25(44-32-30(42)29(41)28(40)26(20-38)45-32)19-24-23(12-13-27(39)34(24,4)5)35(31,6)17-18-36(22,37)7/h10,15,19,21-23,25-32,38-42H,11-14,16-18,20H2,1-9H3/b15-10+/t21-,22-,23-,25+,26-,27+,28-,29+,30-,31-,32-,35+,36-,37+/m1/s1
InChIKey: InChIKey=SIFXZLRBHSSMMW-WTYQRWLHSA-N
Formula: C37H62O8
Molecular Weight: 634.884794
Exact Mass: 634.444469
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, J.C., Lu, L., Zhang, X.M., Zhou, L., Li, Z.R., Qiu, M.H. Helv Chim Acta (2008) 91, 920-9
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) | 21.8 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 76.1 |
| 4 (C) | 42 |
| 5 (C) | 148.4 |
| 6 (CH) | 121 |
| 7 (CH) | 72.4 |
| 8 (CH) | 48.4 |
| 9 (C) | 34.5 |
| 10 (CH) | 39.3 |
| 11 (CH2) | 28 |
| 12 (CH2) | 33 |
| 13 (C) | 46.3 |
| 14 (C) | 48.2 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 30.5 |
| 17 (CH) | 50.3 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 29.5 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 19.1 |
| 22 (CH2) | 39.8 |
| 23 (CH) | 128.5 |
| 24 (CH) | 137.6 |
| 25 (C) | 74.9 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 26.1 |
| 30 (CH3) | 18 |
| 1' (CH) | 101.2 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.9 |
| 4' (CH) | 72 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 63 |
| 25a (CH3) | 50.2 |
