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GYPSOGENIN;3-BETA-HYDROXY-OLEAN-12-EN-23-AL-28-OIC-ACID
SpectraBase Compound ID 7BD5EH7mlTS
InChI InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey QMHCWDVPABYZMC-MYPRUECHSA-N
Mol Weight 470.7 g/mol
Molecular Formula C30H46O4
Exact Mass 470.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvzAeoUoRaP
Name GYPSOGENIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O4
InChI InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey QMHCWDVPABYZMC-MYPRUECHSA-N
Literature Reference Author Y.KAWATA,H.KIZU,Y.MIYAICHI,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,49,635(2001)
Literature Reference DOI 10.1248/cpb.49.635
Molecular Weight 470.693 g/mol
Solvent C5D5N
Source File Reference UWLU31746