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(22S)-3-ALPHA,16-ALPHA,20,22,25-PENTAHYDROXY-(10-ALPHA)-CUCURBIT-5-EN-11-ONE
SpectraBase Compound ID BWKzNZbMSXJ
InChI InChI=1S/C30H50O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,18-22,24,31-33,35-36H,10-16H2,1-8H3/t18-,19-,20+,21-,22+,24+,27?,28?,29?,30?/m1/s1
InChIKey SIZMFLORRGZXPU-SKVKRNGTSA-N
Mol Weight 506.7 g/mol
Molecular Formula C30H50O6
Exact Mass 506.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIiuaXBkf5U
Name (22S)-3-ALPHA,16-ALPHA,20,22,25-PENTAHYDROXY-(10-ALPHA)-CUCURBIT-5-EN-11-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O6
InChI InChI=1S/C30H50O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,18-22,24,31-33,35-36H,10-16H2,1-8H3/t18-,19-,20+,21-,22+,24+,27?,28?,29?,30?/m1/s1
InChIKey SIZMFLORRGZXPU-SKVKRNGTSA-N
Literature Reference Author H.ACHENBACH,K.HORN,X.A.DOMINGUEZ,C.ROMBOLD,E.G.G.LOPEZ
Literature Reference Citation PHYTOCHEM.,33,437(1993)
Literature Reference DOI 10.1016/0031-9422(93)85535-Y
Molecular Weight 506.723 g/mol
Solvent CD3OD
Source File Reference UWVN6419