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#6A;(25R)-27-O-[(S)-3-HYDROXY-3-METHYLGLUTARYL-METHYLESTER]-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-ARABINOPYRANOSYL-(1->
SpectraBase Compound ID 3Z2WSz89QKJ
InChI InChI=1S/C51H80O21/c1-23-36-32(72-51(23)14-9-25(21-66-51)20-64-35(55)18-48(3,62)17-34(54)63-6)16-30-28-8-7-26-15-27(10-12-49(26,4)29(28)11-13-50(30,36)5)68-47-44(71-46-42(61)40(59)37(56)24(2)67-46)43(39(58)33(19-52)69-47)70-45-41(60)38(57)31(53)22-65-45/h7,23-25,27-33,36-47,52-53,56-62H,8-22H2,1-6H3/t23-,24+,25-,27-,28+,29-,30-,31-,32-,33+,36-,37+,38-,39+,40-,41+,42-,43-,44+,45-,46+,47+,48+,49-,50-,51-/m0/s1
InChIKey FBRHMYTYDKBZBF-OAGMHFIXSA-N
Mol Weight 1029.2 g/mol
Molecular Formula C51H80O21
Exact Mass 1028.51921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MOORkED6ze
Name #6A;(25R)-27-O-[(S)-3-HYDROXY-3-METHYLGLUTARYL-METHYLESTER]-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-ARABINOPYRANOSYL-(1->
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H80O21
InChI InChI=1S/C51H80O21/c1-23-36-32(72-51(23)14-9-25(21-66-51)20-64-35(55)18-48(3,62)17-34(54)63-6)16-30-28-8-7-26-15-27(10-12-49(26,4)29(28)11-13-50(30,36)5)68-47-44(71-46-42(61)40(59)37(56)24(2)67-46)43(39(58)33(19-52)69-47)70-45-41(60)38(57)31(53)22-65-45/h7,23-25,27-33,36-47,52-53,56-62H,8-22H2,1-6H3/t23-,24+,25-,27-,28+,29-,30-,31-,32-,33+,36-,37+,38-,39+,40-,41+,42-,43-,44+,45-,46+,47+,48+,49-,50-,51-/m0/s1
InChIKey FBRHMYTYDKBZBF-OAGMHFIXSA-N
Literature Reference Author Y.MIMAKI,O.NAKAMURA,Y.SASHIDA,Y.SATOMI,A.NISHINO,H.NISHINO
Literature Reference Citation PHYTOCHEM.,37,227(1994)
Literature Reference DOI 10.1016/0031-9422(94)85030-5
Molecular Weight 1029.184 g/mol
Solvent C5D5N
Source File Reference UWLU23067