Spektraris NMR
Sapinmusaponin B
Common Name: Sapinmusaponin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H72O14/c1-19(2)16-23(44)35(51)42(9,52)22-12-15-40(7)21(22)10-11-25-39(6)14-13-28(38(4,5)26(39)17-27(45)41(25,40)8)55-37-34(32(49)30(47)24(18-43)54-37)56-36-33(50)31(48)29(46)20(3)53-36/h16,20-37,43-52H,10-15,17-18H2,1-9H3/t20-,21+,22-,23?,24+,25+,26-,27-,28-,29-,30+,31+,32-,33+,34+,35?,36-,37-,39+,40+,41-,42-/m0/s1
InChIKey: InChIKey=JKFIAZCONDAKDC-NVIUJQRFSA-N
Formula: C42H72O14
Molecular Weight: 801.014311
Exact Mass: 800.492207
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Huang, H.C., Yang Kuo, L.M., Hsu, Y.W., Lee, K.H., Chang, F.R., Wu, Y.C. J Agric Food Chem (2005) 53, 4722-7
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) | 40.4 |
| 2 (CH2) | 27.45 |
| 3 (CH) | 90.04 |
| 4 (C) | 40.25 |
| 5 (CH) | 55.45 |
| 6 (CH2) | 29.08 |
| 7 (CH) | 75.93 |
| 8 (C) | 47.38 |
| 9 (CH) | 51.89 |
| 10 (C) | 37.89 |
| 11 (CH2) | 22.57 |
| 12 (CH2) | 26.64 |
| 13 (CH) | 44.07 |
| 14 (C) | 50.45 |
| 15 (CH2) | 35.42 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 46.12 |
| 18 (CH3) | 10.05 |
| 19 (CH3) | 16.89 |
| 20 (C) | 80.14 |
| 21 (CH3) | 19.03 |
| 22 (CH) | 77.58 |
| 23 (CH) | 69.33 |
| 24 (CH) | 126.99 |
| 25 (C) | 135.54 |
| 26 (CH3) | 26.02 |
| 27 (CH3) | 18.33 |
| 28 (CH3) | 28.39 |
| 29 (CH3) | 17.11 |
| 30 (CH3) | 16.67 |
| 1' (CH) | 105.56 |
| 2' (CH) | 78.97 |
| 3' (CH) | 79.48 |
| 4' (CH) | 72.15 |
| 5' (CH) | 77.58 |
| 6' (CH2) | 62.76 |
| 1'' (CH) | 101.85 |
| 2'' (CH) | 72.03 |
| 3'' (CH) | 72.03 |
| 4'' (CH) | 73.95 |
| 5'' (CH) | 69.98 |
| 6'' (CH3) | 17.98 |
