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HOYACARNOSIDE-S
SpectraBase Compound ID HHTCtXkUPBo
InChI InChI=1S/C53H86O21/c1-24(54)33-16-19-53(60)51(33,9)48(70-30(7)56)46(69-29(6)55)47-50(8)17-15-32(20-31(50)14-18-52(47,53)59)71-37-21-34(61-10)42(26(3)65-37)72-38-22-35(62-11)43(27(4)66-38)73-39-23-36(63-12)44(28(5)67-39)74-49-41(58)45(64-13)40(57)25(2)68-49/h14,24-28,32-49,54,57-60H,15-23H2,1-13H3/t24-,25-,26+,27-,28+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,51-,52-,53+/m0/s1
InChIKey POUJIIOAHLTWOT-MLQPGUIISA-N
Mol Weight 1059.2 g/mol
Molecular Formula C53H86O21
Exact Mass 1058.56616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkrJHbETGnN
Name HOYACARNOSIDE-S
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H86O21
InChI InChI=1S/C53H86O21/c1-24(54)33-16-19-53(60)51(33,9)48(70-30(7)56)46(69-29(6)55)47-50(8)17-15-32(20-31(50)14-18-52(47,53)59)71-37-21-34(61-10)42(26(3)65-37)72-38-22-35(62-11)43(27(4)66-38)73-39-23-36(63-12)44(28(5)67-39)74-49-41(58)45(64-13)40(57)25(2)68-49/h14,24-28,32-49,54,57-60H,15-23H2,1-13H3/t24-,25-,26+,27-,28+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,51-,52-,53+/m0/s1
InChIKey POUJIIOAHLTWOT-MLQPGUIISA-N
Literature Reference Author F.ABE,H.FUJISHIMA,Y.IWASE,T.YAMAUCHI,K.KINJO,S.YAGA
Literature Reference Citation CHEM.PHARM.BULL.,47,1128(1999)
Literature Reference DOI 10.1248/cpb.47.1128
Molecular Weight 1059.253 g/mol
Solvent CD3OD
Source File Reference UWLU8188