Spektraris NMR
Mussaendosidcs V
Common Name: Mussaendosidcs V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(51)29(49)27(47)22(18-44)56-34)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(45)40(5,24(37)10-13-39(23,38)4)35(52)57-33-30(50)28(48)26(46)21(17-43)55-33/h7,19,21-34,43-51,54H,8-18H2,1-6H3/t19-,21-,22-,23-,24-,25+,26-,27-,28+,29+,30-,31-,32-,33+,34+,37-,38-,39-,40-,41-,42+/m1/s1
InChIKey: InChIKey=XWCOKRYXNPIVOR-UQBBNZGASA-N
Formula: C42H66O16
Molecular Weight: 826.965476
Exact Mass: 826.435086
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, W.M., Wolfender, J.L., Hostettmann, K., Cheng, K.F., Xu, R.S., Qin, G.W. Phytochemistry (1997) 45, 1073-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 39.9 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 78.3 |
| 4 (C) | 50.1 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 33.8 |
| 8 (C) | 40.4 |
| 9 (CH) | 47.3 |
| 10 (C) | 37.9 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 128.3 |
| 13 (C) | 139 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 26.3 |
| 17 (C) | 48.7 |
| 18 (CH) | 54.5 |
| 19 (C) | 72.5 |
| 20 (CH) | 42.1 |
| 21 (CH2) | 27 |
| 22 (CH2) | 37.7 |
| 23 (CH3) | 24.5 |
| 24 (C) | 176.1 |
| 25 (CH3) | 14.2 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 24.7 |
| 28 (C) | 176.8 |
| 29 (CH3) | 27 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 95.7 |
| 2' (CH) | 74 |
| 3' (CH) | 79.1 |
| 4' (CH) | 71.2 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.3 |
| 1'' (CH) | 95.7 |
| 2'' (CH) | 74 |
| 3'' (CH) | 79.1 |
| 4'' (CH) | 71 |
| 5'' (CH) | 78.7 |
| 6'' (CH2) | 62.2 |
