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HEDERAGENIN_3-O-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID KA7sZA3x9mc
InChI InChI=1S/C36H58O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,21-29,37-41H,8-19H2,1-6H3,(H,42,43)/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1
InChIKey CCDRPBGPIXPGRW-DLQTVUGOSA-N
Mol Weight 634.9 g/mol
Molecular Formula C36H58O9
Exact Mass 634.408083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xABXRsRmfS
Name 3-O-(BETA-D-GLUCOPYRANOSYL)-HEDERAGENIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H58O9
InChI InChI=1S/C36H58O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,21-29,37-41H,8-19H2,1-6H3,(H,42,43)/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1
InChIKey CCDRPBGPIXPGRW-DLQTVUGOSA-N
Literature Reference Author H.B.WANG,R.MAYER,G.RUECKER
Literature Reference Citation PHYTOCHEM.,33,1469(1993)
Literature Reference DOI 10.1016/0031-9422(93)85113-6
Molecular Weight 634.851 g/mol
Solvent PYRIDINE-D5