Spektraris NMR
Beesioside I
Common Name: Beesioside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H60O12/c1-20(40)48-28-29-34(7)13-16-39(51-34,33(5,6)45)47-19-38(29)15-14-37-18-36(37)12-11-25(50-31-27(44)26(43)22(42)17-46-31)32(3,4)23(36)9-10-24(37)35(38,8)30(28)49-21(2)41/h22-31,42-45H,9-19H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31+,34+,35-,36-,37+,38+,39+/m1/s1
InChIKey: InChIKey=UZSZTNKGIQMEOL-PNTAYXCVSA-N
Formula: C39H60O12
Molecular Weight: 720.888004
Exact Mass: 720.408477
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ju, J.H., Liu, D., Lin, G., Zhang, Y.M., Yang, J.S., Lu, Y., Gong, N.B., Zheng, Q.T. J Nat Prod (2002) 65, 147-52
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) | 32.3 |
| 2 (CH2) | 30.9 |
| 3 (CH) | 88.3 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 26 |
| 8 (CH) | 47.2 |
| 9 (C) | 19.2 |
| 10 (C) | 27.7 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 28 |
| 13 (C) | 45.8 |
| 14 (C) | 51.5 |
| 15 (CH) | 82.1 |
| 16 (CH) | 75.2 |
| 17 (CH) | 56.3 |
| 18 (CH2) | 66.4 |
| 19 (CH2) | 31.5 |
| 20 (C) | 86.8 |
| 21 (CH3) | 32.4 |
| 22 (CH2) | 38.2 |
| 23 (CH2) | 30 |
| 24 (C) | 114.3 |
| 25 (C) | 72.8 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 15.3 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 67 |
| 15a (C) | 170.5 |
| 15b (CH3) | 21.2 |
| 16a (C) | 170.8 |
| 16b (CH3) | 21.2 |
