Spektraris NMR
Gynoside B
Common Name: Gynoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H72O14/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8)16-12-27(56-42)38(3,4)51)39(24,5)13-11-26(37)54-36-34(32(49)30(47)23(19-44)53-36)55-35-33(50)31(48)29(46)22(18-43)52-35/h20-36,43-51H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1
InChIKey: InChIKey=VBWLFPXNVMBQCR-HJMNTHRUSA-N
Formula: C42H72O14
Molecular Weight: 801.014311
Exact Mass: 800.492207
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, X., Ye, W., Mo, Z., Yu, B., Zhao, S., Wu, H., Che, C., Jiang, R., Mak, T.C., Hsiao, W.L. J Nat Prod (2004) 67, 1147-51
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.6 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 89.4 |
| 4 (C) | 40 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 35.5 |
| 8 (C) | 40.3 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.3 |
| 11 (CH2) | 32.8 |
| 12 (CH) | 71.2 |
| 13 (CH) | 49.7 |
| 14 (C) | 52.5 |
| 15 (CH2) | 32.9 |
| 16 (CH2) | 28.9 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16.9 |
| 20 (C) | 87.4 |
| 21 (CH3) | 29.3 |
| 22 (CH2) | 32.5 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 88.6 |
| 25 (C) | 70.5 |
| 26 (CH3) | 27.2 |
| 27 (CH3) | 26.8 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 18.4 |
| 1' (CH) | 105.3 |
| 2' (CH) | 83.3 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 106 |
| 2'' (CH) | 77.3 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 63.1 |
