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SHEPHAGENIN_A

View entire compound with spectra: 1 NMR

SHEPHAGENIN_A
SpectraBase Compound ID 3R9hwsjfTGb
InChI InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)44(70)77-22-8-75-45(71)13-7-21(76-38-14(42(66)67)6-20(54)31(59)37(38)65)32(60)36(64)26(13)25-10(3-17(51)30(58)35(25)63)46(72)78-39(22)40-41(43(68)69)80-48(74)12-5-19(53)29(57)34(62)24(12)23-11(47(73)79-40)4-18(52)28(56)33(23)61/h1-7,22,39-41,49-65H,8H2,(H,66,67)(H,68,69)/t22-,39-,40-,41+/m0/s1
InChIKey DJYGJCGULKJOGJ-MMZJOPOJSA-N
Mol Weight 1120.8 g/mol
Molecular Formula C48H32O32
Exact Mass 1120.087669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ij3eAodP4vE
Name SHEPHAGENIN_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H32O32
InChI InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)44(70)77-22-8-75-45(71)13-7-21(76-38-14(42(66)67)6-20(54)31(59)37(38)65)32(60)36(64)26(13)25-10(3-17(51)30(58)35(25)63)46(72)78-39(22)40-41(43(68)69)80-48(74)12-5-19(53)29(57)34(62)24(12)23-11(47(73)79-40)4-18(52)28(56)33(23)61/h1-7,22,39-41,49-65H,8H2,(H,66,67)(H,68,69)/t22-,39-,40-,41+/m0/s1
InChIKey DJYGJCGULKJOGJ-MMZJOPOJSA-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 1120.763 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWMZ17348