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SHEPHAGENIN_B

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SHEPHAGENIN_B
SpectraBase Compound ID HcBTLzZB1SQ
InChI InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)54-7-18(41)27(55-32(51)9-3-14(37)22(43)15(38)4-9)28-29(30(48)49)57-34(53)11-6-17(40)24(45)26(47)20(11)19-10(33(52)56-28)5-16(39)23(44)25(19)46/h1-6,18,27-29,35-47H,7H2,(H,48,49)/t18-,27-,28-,29+/m1/s1
InChIKey GTUDIEGKNWRBKT-KVOSDCJXSA-N
Mol Weight 802.6 g/mol
Molecular Formula C34H26O23
Exact Mass 802.086487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kR5eWH1ek1
Name SHEPHAGENIN_B
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H26O23
InChI InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)54-7-18(41)27(55-32(51)9-3-14(37)22(43)15(38)4-9)28-29(30(48)49)57-34(53)11-6-17(40)24(45)26(47)20(11)19-10(33(52)56-28)5-16(39)23(44)25(19)46/h1-6,18,27-29,35-47H,7H2,(H,48,49)/t18-,27-,28-,29+/m1/s1
InChIKey GTUDIEGKNWRBKT-KVOSDCJXSA-N
Literature Reference Author T.YOSHIDA,H.ITO,T.HATANO,M.KURATA,T.NAKANISHI,A.INADA,H.MURA TA,Y.INATOMI,N.MATSU
Literature Reference Citation CHEM.PHARM.BULL.,44,1436(1996)
Literature Reference DOI 10.1248/cpb.44.1436
Molecular Weight 802.567 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWMZ17349