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Iiexoside XLVIII (3-O-.beta.,d-glucuronopyranosyl, 28-O-.beta.,d-glucopyranosyl hederagenin)
SpectraBase Compound ID 3dG2dVTl2u5
InChI InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21?,22-,23?,24?,25-,26-,27+,28-,29+,30-,31+,32-,34+,35+,38-,39-,40+,41+,42-/m0/s1
InChIKey RZQHWSDMLZHIRN-IKMVEDSKSA-N
Mol Weight 811.0 g/mol
Molecular Formula C42H66O15
Exact Mass 810.440171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CMg4sl1jBZ
Name Iiexoside XLVIII (3-O-.beta.,d-glucuronopyranosyl, 28-O-.beta.,d-glucopyranosyl hederagenin)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H66O15
InChI InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21?,22-,23?,24?,25-,26-,27+,28-,29+,30-,31+,32-,34+,35+,38-,39-,40+,41+,42-/m0/s1
InChIKey RZQHWSDMLZHIRN-IKMVEDSKSA-N
Molecular Weight 810.975 g/mol
SMILES O[C@]1([C@@]([C@@](OC([C@@]23CCC(CC3C=3[C@]([C@@]4(CCC5[C@@]([C@@](O[C@]6([C@@]([C@]([C@]([C@](O6)(C(=O)O)[H])(O)[H])(O)[H])(O)[H])[H])(CC[C@@]5(C4CC3)C)[H])(CO)C)C)(CC2)C)(C)C)=O)(O[C@]([C@@]1(O)[H])(CO)[H])[H])(O)[H])[H]
SPLASH splash10-0002-0960100000-6d5ec39df7e9107677e2
Source of Spectrum E1-41-79-3
Wiley ID 1551828