![3-O-[[BETA-D-GALACTOPYRANOSYL-(1->6)]-O-BETA-D-GALACTOPYRANOSYL]-23(R),24(R),25-TRIHYDROXYCUCURBIT-5-ENE](/api/spectrum/4vX7TwZX5MR/structure.png?h=300&w=458 "3-O-[[BETA-D-GALACTOPYRANOSYL-(1->6)]-O-BETA-D-GALACTOPYRANOSYL]-23(R),24(R),25-TRIHYDROXYCUCURBIT-5-ENE")
| SpectraBase Compound ID | 14QG74ErzOc |
|---|---|
| InChI | InChI=1S/C42H72O14/c1-20(17-24(44)35(51)39(4,5)52)21-13-14-42(8)27-11-9-22-23(40(27,6)15-16-41(21,42)7)10-12-28(38(22,2)3)56-37-34(50)32(48)30(46)26(55-37)19-53-36-33(49)31(47)29(45)25(18-43)54-36/h9,20-21,23-37,43-52H,10-19H2,1-8H3/t20-,21?,23?,24-,25-,26-,27?,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,40+,41-,42+/m1/s1 |
| InChIKey | MKORKSXRXHAVFX-BRIUEBTPSA-N |
| Mol Weight | 801.0 g/mol |
| Molecular Formula | C42H72O14 |
| Exact Mass | 800.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vX7TwZX5MR |
|---|---|
| Name | 3-O-[[BETA-D-GALACTOPYRANOSYL-(1->6)]-O-BETA-D-GALACTOPYRANOSYL]-23(R),24(R),25-TRIHYDROXYCUCURBIT-5-ENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O14 |
| InChI | InChI=1S/C42H72O14/c1-20(17-24(44)35(51)39(4,5)52)21-13-14-42(8)27-11-9-22-23(40(27,6)15-16-41(21,42)7)10-12-28(38(22,2)3)56-37-34(50)32(48)30(46)26(55-37)19-53-36-33(49)31(47)29(45)25(18-43)54-36/h9,20-21,23-37,43-52H,10-19H2,1-8H3/t20-,21?,23?,24-,25-,26-,27?,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,40+,41-,42+/m1/s1 |
| InChIKey | MKORKSXRXHAVFX-BRIUEBTPSA-N |
| Literature Reference Author | L.MA,A.H.YU,L.L.SUN,W.GAO,M.M.ZHANG,Y.L.SU,H.LIU,T.F.JI,D.Z. LI |
| Literature Reference Citation | J.AS.NAT.PROD.RES.,16,476(2014) |
| Literature Reference DOI | 10.1080/10286020.2014.914502 |
| Molecular Weight | 801.025 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA9140 |