#10;(3-BETA,18-BETA,20-BETA)-3-N-[2-[METHYL-(2,3,4-TRI-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYL)-URONATE]-ETHYLAMINO]-11-OXO-OLEAN-12-EN-29-OIC-ACID

SpectraBase Compound ID	4nK7G2TgapQ
InChI	InChI=1S/C45H67NO12S/c1-24(47)55-32-33(56-25(2)48)35(57-26(3)49)38(58-34(32)37(51)54-11)59-21-20-46-31-13-14-43(8)30(40(31,4)5)12-15-45(10)36(43)29(50)22-27-28-23-42(7,39(52)53)17-16-41(28,6)18-19-44(27,45)9/h22,28,30-36,38,46H,12-21,23H2,1-11H3,(H,52,53)/t28-,30-,31-,32+,33+,34+,35-,36+,38+,41+,42-,43-,44+,45+/m0/s1
InChIKey	TWTALMVMJLTZCK-YEXFHTRWSA-N Google Search
Mol Weight	846.1 g/mol
Molecular Formula	C45H67NO12S
Exact Mass	845.438398 g/mol

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SpectraBase Spectrum ID	4Z1OF6OpvEZ
Name	#10;(3-BETA,18-BETA,20-BETA)-3-N-[2-[METHYL-(2,3,4-TRI-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYL)-URONATE]-ETHYLAMINO]-11-OXO-OLEAN-12-EN-29-OIC-ACID
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C45H67NO12S
InChI	InChI=1S/C45H67NO12S/c1-24(47)55-32-33(56-25(2)48)35(57-26(3)49)38(58-34(32)37(51)54-11)59-21-20-46-31-13-14-43(8)30(40(31,4)5)12-15-45(10)36(43)29(50)22-27-28-23-42(7,39(52)53)17-16-41(28,6)18-19-44(27,45)9/h22,28,30-36,38,46H,12-21,23H2,1-11H3,(H,52,53)/t28-,30-,31-,32+,33+,34+,35-,36+,38+,41+,42-,43-,44+,45+/m0/s1
InChIKey	TWTALMVMJLTZCK-YEXFHTRWSA-N
Literature Reference Author	C.STANETTY,A.WOLKERSTORFER,H.AMER,A.HOFINGER,U.JORDIS,D.CLAB EN-HOUBEN,P.KOSMA
Literature Reference Citation	BEIL.J.ORG.CHEM.,8,705(2012)
Literature Reference DOI	10.3762/bjoc.8.79
Molecular Weight	846.086 g/mol
Solvent	CDCl3
Source File Reference	UWIR10532