![#2;(25-S)-KINGIANOSIDE-D;(25-S)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-FUCOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI-HYDROXYFUROST-5-EN-12-ONE](/api/spectrum/Ap30suGg7UY/structure.png?h=300&w=458 "#2;(25-S)-KINGIANOSIDE-D;(25-S)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-FUCOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI-HYDROXYFUROST-5-EN-12-ONE")
| SpectraBase Compound ID | J53j5FpFo7A |
|---|---|
| InChI | InChI=1S/C45H72O19/c1-18(17-58-40-36(54)33(51)31(49)27(15-46)61-40)8-11-45(57)19(2)30-26(64-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)60-41-38(56)35(53)39(20(3)59-41)63-42-37(55)34(52)32(50)28(16-47)62-42/h6,18-20,22-28,30-42,46-47,49-57H,7-17H2,1-5H3/t18-,19-,20+,22-,23+,24-,25-,26-,27-,28-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,41-,42+,43-,44+,45?/m0/s1 |
| InChIKey | YEPLHFBCHYIXDM-QSEPDTPSSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C45H72O19 |
| Exact Mass | 916.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ap30suGg7UY |
|---|---|
| Name | #2;(25-S)-KINGIANOSIDE-D;(25-S)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-FUCOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI-HYDROXYFUROST-5-EN-12-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O19 |
| InChI | InChI=1S/C45H72O19/c1-18(17-58-40-36(54)33(51)31(49)27(15-46)61-40)8-11-45(57)19(2)30-26(64-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)60-41-38(56)35(53)39(20(3)59-41)63-42-37(55)34(52)32(50)28(16-47)62-42/h6,18-20,22-28,30-42,46-47,49-57H,7-17H2,1-5H3/t18-,19-,20+,22-,23+,24-,25-,26-,27-,28-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,41-,42+,43-,44+,45?/m0/s1 |
| InChIKey | YEPLHFBCHYIXDM-QSEPDTPSSA-N |
| Literature Reference Author | J.ZHANG,B.P.MA,L.P.KANG,H.S.YU,Y.YANG,X.Z.YAN,F.T.DONG |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,931(2006) |
| Literature Reference DOI | 10.1248/cpb.54.931 |
| Molecular Weight | 917.055 g/mol |
| Sample ID | 37165 |
| Solvent | C5D5N |