[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
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![[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3aba739ca68e4a798f4bcb54dc7278ad.png "[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate")
[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
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CAS No:
114420-67-6
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Formula:
C20H26O11
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Chemical Name:
[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
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Synonyms:
Regaloside B;
- Categories:
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CAS No:
[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate Basic Attributes
442.41400
442.14751164 g/mol
DTXSID20420049
Computed Properties
Molecular Weight:442.4
XLogP3:-0.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:442.14751164
Monoisotopic Mass:442.14751164
Topological Polar Surface Area:172
Heavy Atom Count:31
Complexity:602
Undefined Atom Stereocenter Count:6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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