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#6;(25R)-27-O-[(S)-3-HYDROXY-3-METHYLGLUTARYL]-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GL
SpectraBase Compound ID B499BVrJmPN
InChI InChI=1S/C50H78O21/c1-22-35-31(71-50(22)13-8-24(20-65-50)19-63-34(55)17-47(3,62)16-33(53)54)15-29-27-7-6-25-14-26(9-11-48(25,4)28(27)10-12-49(29,35)5)67-46-43(70-45-41(61)39(59)36(56)23(2)66-45)42(38(58)32(18-51)68-46)69-44-40(60)37(57)30(52)21-64-44/h6,22-24,26-32,35-46,51-52,56-62H,7-21H2,1-5H3,(H,53,54)/t22-,23+,24+,26-,27+,28-,29-,30-,31-,32+,35-,36+,37-,38+,39-,40+,41-,42-,43+,44-,45+,46+,47?,48-,49-,50-/m0/s1
InChIKey WWAJXJDTBBBWIM-JWPKMCHDSA-N
Mol Weight 1015.2 g/mol
Molecular Formula C50H78O21
Exact Mass 1014.50356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9uDaDDY61ZT
Name #6;(25R)-27-O-[(S)-3-HYDROXY-3-METHYLGLUTARYL]-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H78O21
InChI InChI=1S/C50H78O21/c1-22-35-31(71-50(22)13-8-24(20-65-50)19-63-34(55)17-47(3,62)16-33(53)54)15-29-27-7-6-25-14-26(9-11-48(25,4)28(27)10-12-49(29,35)5)67-46-43(70-45-41(61)39(59)36(56)23(2)66-45)42(38(58)32(18-51)68-46)69-44-40(60)37(57)30(52)21-64-44/h6,22-24,26-32,35-46,51-52,56-62H,7-21H2,1-5H3,(H,53,54)/t22-,23+,24+,26-,27+,28-,29-,30-,31-,32+,35-,36+,37-,38+,39-,40+,41-,42-,43+,44-,45+,46+,47?,48-,49-,50-/m0/s1
InChIKey WWAJXJDTBBBWIM-JWPKMCHDSA-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 1015.157 g/mol
Solvent C5D5N
Source File Reference UWLU23066