2H-Pyran-5-carboxylic acid, 3-ethenyl-3,4-dihydro-2-hydroxy-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-, methyl ester, (2R,3R,4S)-
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![2H-Pyran-5-carboxylic acid, 3-ethenyl-3,4-dihydro-2-hydroxy-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-, methyl ester, (2R,3R,4S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b7b406bf44d14203b0ca67e429c57f44.png "2H-Pyran-5-carboxylic acid, 3-ethenyl-3,4-dihydro-2-hydroxy-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-, methyl ester, (2R,3R,4S)-")
2H-Pyran-5-carboxylic acid, 3-ethenyl-3,4-dihydro-2-hydroxy-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-, methyl ester, (2R,3R,4S)-
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CAS No:
85925-13-9
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Formula:
C21H24N2O4
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Chemical Name:
2H-Pyran-5-carboxylic acid, 3-ethenyl-3,4-dihydro-2-hydroxy-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-, methyl ester, (2R,3R,4S)-
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Synonyms:
2H-Pyran-5-carboxylic acid,3-ethenyl-3,4-dihydro-2-hydroxy-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-,methyl ester,(2R,3R,4S)-;2H-Pyran-5-carboxylic acid,3-ethenyl-3,4-dihydro-2-hydroxy-4-[(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-,methyl ester,[2R-[2α,3β,4β(S*)]]-;1H-Pyrido[3,4-b]indole,2H-pyran-5-carboxylic acid deriv.;Strictosidine aglycone
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CAS No:
Description
Strictosidine aglycone is an indole alkaloid, an alkaloid ester and a methyl ester. It is a conjugate base of a strictosidine aglycone(1+).
2H-Pyran-5-carboxylic acid, 3-ethenyl-3,4-dihydro-2-hydroxy-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-, methyl ester, (2R,3R,4S)- Basic Attributes
368.4 g/mol
368.43
DTXSID70331459
Computed Properties
Molecular Weight:368.4
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:368.17360725
Monoisotopic Mass:368.17360725
Topological Polar Surface Area:83.6
Heavy Atom Count:27
Complexity:607
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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