| SpectraBase Compound ID | DsgUw8rceTN |
|---|---|
| InChI | InChI=1S/C52H84O21/c1-23-32(57)40(71-42-37(62)33(58)26(55)20-66-42)39(64)44(68-23)72-41-34(59)27(56)21-67-45(41)70-31-11-12-48(4)29(49(31,5)22-54)10-13-51(7)30(48)9-8-24-25-18-47(2,3)14-16-52(25,17-15-50(24,51)6)46(65)73-43-38(63)36(61)35(60)28(19-53)69-43/h8,23,25-45,53-64H,9-22H2,1-7H3/t23-,25-,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,48?,49-,50?,51?,52-/m0/s1 |
| InChIKey | YDXWQWMRQORSTI-UKFMMLARSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C52H84O21 |
| Exact Mass | 1044.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Irw5AMq3mo9 |
|---|---|
| Name | DECAISOSIDE-D;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O21 |
| InChI | InChI=1S/C52H84O21/c1-23-32(57)40(71-42-37(62)33(58)26(55)20-66-42)39(64)44(68-23)72-41-34(59)27(56)21-67-45(41)70-31-11-12-48(4)29(49(31,5)22-54)10-13-51(7)30(48)9-8-24-25-18-47(2,3)14-16-52(25,17-15-50(24,51)6)46(65)73-43-38(63)36(61)35(60)28(19-53)69-43/h8,23,25-45,53-64H,9-22H2,1-7H3/t23-,25-,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,48?,49-,50?,51?,52-/m0/s1 |
| InChIKey | YDXWQWMRQORSTI-UKFMMLARSA-N |
| Literature Reference Author | J.KONG,X.C.LI,B.Y.WEI,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,33,427(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85533-W |
| Molecular Weight | 1045.226 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6399 |