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EXrVFL0wONJ
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EXrVFL0wONJ
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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Saikosaponin-D
SpectraBase Compound ID EtJclyT9Y5O
InChI InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21?,22?,23-,24-,25-,26+,27+,28?,29?,30?,31?,32?,33?,34?,35?,37-,38+,39+,40-,41+,42-/m0/s1
InChIKey KYWSCMDFVARMPN-ZVSUJPJASA-N
Mol Weight 781.0 g/mol
Molecular Formula C42H68O13
Exact Mass 780.465992 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXrVFL0wONJ
Name Saikosaponin-D
CAS Registry Number 20874-52-6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C42H68O13
InChI InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21?,22?,23-,24-,25-,26+,27+,28?,29?,30?,31?,32?,33?,34?,35?,37-,38+,39+,40-,41+,42-/m0/s1
InChIKey KYWSCMDFVARMPN-ZVSUJPJASA-N
Instrument Name SF = 100 MHz
Literature Reference Chem. Pharm. Bull. 34, 1158 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5
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