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HUPEHENSIS-SAPONIN-E;#2;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O-A
SpectraBase Compound ID 9L8zXdTeaxb
InChI InChI=1S/C70H114O35/c1-26-38(76)43(81)47(85)59(95-26)102-54-33(21-72)98-57(50(88)46(54)84)94-24-34-42(80)45(83)49(87)61(99-34)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-73)35(66)11-14-69(36,8)68(28,7)16-18-70)100-63-56(40(78)30(74)22-93-63)104-62-52(90)55(39(77)27(2)96-62)103-58-51(89)53(31(75)23-92-58)101-60-48(86)44(82)41(79)32(20-71)97-60/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27+,29+,30+,31-,32-,33-,34-,35-,36-,37+,38-,39+,40+,41-,42-,43+,44+,45+,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60+,61+,62+,63+,66?,67+,68?,69?,70+/m1/s1
InChIKey DNDOZBDUEDTZGE-LBQDHLMQSA-N
Mol Weight 1515.6 g/mol
Molecular Formula C70H114O35
Exact Mass 1514.714065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQxMdqPEovY
Name HUPEHENSIS-SAPONIN-E;#2;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H114O35
InChI InChI=1S/C70H114O35/c1-26-38(76)43(81)47(85)59(95-26)102-54-33(21-72)98-57(50(88)46(54)84)94-24-34-42(80)45(83)49(87)61(99-34)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-73)35(66)11-14-69(36,8)68(28,7)16-18-70)100-63-56(40(78)30(74)22-93-63)104-62-52(90)55(39(77)27(2)96-62)103-58-51(89)53(31(75)23-92-58)101-60-48(86)44(82)41(79)32(20-71)97-60/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27+,29+,30+,31-,32-,33-,34-,35-,36-,37+,38-,39+,40+,41-,42-,43+,44+,45+,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60+,61+,62+,63+,66?,67+,68?,69?,70+/m1/s1
InChIKey DNDOZBDUEDTZGE-LBQDHLMQSA-N
Literature Reference Author M.K.WANG,F.E.WU,Y.Z.CHEN
Literature Reference Citation PHYTOCHEM.,34,1395(1993)
Literature Reference DOI 10.1016/0031-9422(91)80036-Z
Molecular Weight 1515.654 g/mol
Solvent C5D5N
Source File Reference UWLU20673