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PROTODIOSCIN
SpectraBase Compound ID CIXacFJee0Y
InChI InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26?,27?,28?,29?,30+,31-,32?,33+,34+,35+,36+,37+,38-,39+,40-,41-,42+,43-,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1
InChIKey LVTJOONKWUXEFR-CSGITYSCSA-N
Mol Weight 1049.2 g/mol
Molecular Formula C51H84O22
Exact Mass 1048.545424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqkiFHcQaD1
Name PROTODIOSCIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H84O22
InChI InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26?,27?,28?,29?,30+,31-,32?,33+,34+,35+,36+,37+,38-,39+,40-,41-,42+,43-,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1
InChIKey LVTJOONKWUXEFR-CSGITYSCSA-N
Literature Reference Author K.HU,A.J.DONG,X.S.YAO,H.KOBAYASHI,S.IWASAKI
Literature Reference Citation PHYTOCHEM.,44,1339(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00750-9
Molecular Weight 1049.215 g/mol
Solvent C5D5N
Source File Reference UWAN16