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Eleutheroside B1, tetracetate

View entire compound with spectra: 1 NMR

Eleutheroside B1, tetracetate
SpectraBase Compound ID HjxQbaNqf6n
InChI InChI=1S/C25H28O14/c1-11(26)33-10-17-21(34-12(2)27)23(35-13(3)28)24(36-14(4)29)25(37-17)39-20-16(31-5)9-15-7-8-18(30)38-19(15)22(20)32-6/h7-9,17,21,23-25H,10H2,1-6H3/t17-,21-,23+,24-,25-/m1/s1
InChIKey PUEKSVQPSPMUKL-XDJYRAHMSA-N
Mol Weight 552.49 g/mol
Molecular Formula C25H28O14
Exact Mass 552.147906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IodjbacGw0r
Name Eleutheroside B1, tetracetate
Comments Computed using HOSE algorithm
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Exact Mass 552.147905568 u
Formula C25H28O14
InChI InChI=1S/C25H28O14/c1-11(26)33-10-17-21(34-12(2)27)23(35-13(3)28)24(36-14(4)29)25(37-17)39-20-16(31-5)9-15-7-8-18(30)38-19(15)22(20)32-6/h7-9,17,21,23-25H,10H2,1-6H3/t17-,21-,23+,24-,25-/m1/s1
InChIKey PUEKSVQPSPMUKL-XDJYRAHMSA-N
Molecular Weight 552.485 g/mol
SMILES C1(C=CC2=C(O1)C(=C(C(=C2)OC)O[C@@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])OC)=O