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object
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_id
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DSq9TvuLQAr
spectrumID
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DSq9TvuLQAr
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specType
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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BROWNIOSIDE;(25R)-27-O-(3-HYDROXY-3-METHYLGLUTAROYL)-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 4XW35LgQIoK
InChI InChI=1S/C45H70O17/c1-21-33-29(62-45(21)13-8-23(20-57-45)19-56-32(49)17-42(3,55)16-31(47)48)15-28-26-7-6-24-14-25(9-11-43(24,4)27(26)10-12-44(28,33)5)59-41-39(37(53)35(51)30(18-46)60-41)61-40-38(54)36(52)34(50)22(2)58-40/h6,21-23,25-30,33-41,46,50-55H,7-20H2,1-5H3,(H,47,48)/t21-,22-,23-,25-,26+,27-,28-,29-,30+,33-,34-,35+,36+,37-,38+,39+,40-,41+,42?,43-,44-,45+/m0/s1
InChIKey KRFYMPRAIPKTAI-CXYRYEDHSA-N
Mol Weight 883.0 g/mol
Molecular Formula C45H70O17
Exact Mass 882.461301 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSq9TvuLQAr
Name BROWNIOSIDE;(25R)-27-O-(3-HYDROXY-3-METHYLGLUTAROYL)-SPIROST-5-ENE-3-BETA,27-DIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H70O17
InChI InChI=1S/C45H70O17/c1-21-33-29(62-45(21)13-8-23(20-57-45)19-56-32(49)17-42(3,55)16-31(47)48)15-28-26-7-6-24-14-25(9-11-43(24,4)27(26)10-12-44(28,33)5)59-41-39(37(53)35(51)30(18-46)60-41)61-40-38(54)36(52)34(50)22(2)58-40/h6,21-23,25-30,33-41,46,50-55H,7-20H2,1-5H3,(H,47,48)/t21-,22-,23-,25-,26+,27-,28-,29-,30+,33-,34-,35+,36+,37-,38+,39+,40-,41+,42?,43-,44-,45+/m0/s1
InChIKey KRFYMPRAIPKTAI-CXYRYEDHSA-N
Literature Reference Author Y.MIMAKI,Y.SASHIDA,O.NAKAMURA,T.NIKAIDO,T.OHMOTO
Literature Reference Citation PHYTOCHEM.,33,675(1993)
Literature Reference DOI 10.1016/0031-9422(93)85472-4
Molecular Weight 883.041 g/mol
Solvent C5D5N
Source File Reference UWVN6535
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