![3-O-[BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-GLUCOPYRANOSYL]-20-(S)-PROTOPANAXADIOL;METABOLITE-2](/api/spectrum/65xVglLxpfl/structure.png?h=300&w=458 "3-O-[BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-GLUCOPYRANOSYL]-20-(S)-PROTOPANAXADIOL;METABOLITE-2")
| SpectraBase Compound ID | HJNB7qpnioY |
|---|---|
| InChI | InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22?,23-,24-,25-,26?,27?,28+,29?,30-,31-,32+,33+,34-,35-,36+,37+,39+,40-,41-,42-/m1/s1 |
| InChIKey | RWXIFXNRCLMQCD-WSUGHAHKSA-N |
| Mol Weight | 785.0 g/mol |
| Molecular Formula | C42H72O13 |
| Exact Mass | 784.497292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 65xVglLxpfl |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-GLUCOPYRANOSYL]-20-(S)-PROTOPANAXADIOL;METABOLITE-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O13 |
| InChI | InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22?,23-,24-,25-,26?,27?,28+,29?,30-,31-,32+,33+,34-,35-,36+,37+,39+,40-,41-,42-/m1/s1 |
| InChIKey | RWXIFXNRCLMQCD-WSUGHAHKSA-N |
| Literature Reference Author | L.Q.CHENG,J.R.NA,M.H.BANG,M.K.KIM,D.C.YANG |
| Literature Reference Citation | PHYTOCHEM.,69,218(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.06.035 |
| Molecular Weight | 785.026 g/mol |
| Sample ID | 44210 |
| Solvent | C5D5N |