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STEPHANOSIDE_J;12-O-(E)-CINNAMOYLSARCOSTIN_3-O-BETA-D-(3-O-METHYL-6-DEOXYALLOPYRANOSYL)-(1->4)-BETA-D
SpectraBase Compound ID LOo3TvbQirO
InChI InChI=1S/C58H88O20/c1-30-47(61)52(69-11)48(62)53(73-30)78-51-33(4)72-46(28-40(51)68-10)77-50-32(3)71-45(27-39(50)67-9)76-49-31(2)70-44(26-38(49)66-8)74-37-20-21-54(6)36(25-37)19-22-57(64)41(54)29-42(75-43(60)18-17-35-15-13-12-14-16-35)55(7)56(63,34(5)59)23-24-58(55,57)65/h12-19,30-34,37-42,44-53,59,61-65H,20-29H2,1-11H3/b18-17+/t30-,31+,32-,33+,34-,37-,38-,39+,40+,41+,42+,44-,45+,46-,47-,48-,49+,50-,51+,52-,53+,54-,55+,56+,57-,58+/m0/s1
InChIKey IIOPSEVNHNVNNB-OLPRQVOHSA-N
Mol Weight 1105.3 g/mol
Molecular Formula C58H88O20
Exact Mass 1104.586895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6774yub49ZP
Name STEPHANOSIDE_J;12-O-(E)-CINNAMOYLSARCOSTIN_3-O-BETA-D-(3-O-METHYL-6-DEOXYALLOPYRANOSYL)-(1->4)-BETA-D
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H88O20
InChI InChI=1S/C58H88O20/c1-30-47(61)52(69-11)48(62)53(73-30)78-51-33(4)72-46(28-40(51)68-10)77-50-32(3)71-45(27-39(50)67-9)76-49-31(2)70-44(26-38(49)66-8)74-37-20-21-54(6)36(25-37)19-22-57(64)41(54)29-42(75-43(60)18-17-35-15-13-12-14-16-35)55(7)56(63,34(5)59)23-24-58(55,57)65/h12-19,30-34,37-42,44-53,59,61-65H,20-29H2,1-11H3/b18-17+/t30-,31+,32-,33+,34-,37-,38-,39+,40+,41+,42+,44-,45+,46-,47-,48-,49+,50-,51+,52-,53+,54-,55+,56+,57-,58+/m0/s1
InChIKey IIOPSEVNHNVNNB-OLPRQVOHSA-N
Literature Reference Author K.YOSHIKAWA,N.OKADA,Y.KANN,S.ARIHARA
Literature Reference Citation CHEM.PHARM.BULL.,44,1790(1996)
Literature Reference DOI 10.1248/cpb.44.1790
Molecular Weight 1105.325 g/mol
Solvent C5D5N
Source File Reference UWMZ19575