(1R,2R,8S)-1,5-dimethyl-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]tricyclo[4.4.0.02,7]dec-4-en-3-one
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![(1R,2R,8S)-1,5-dimethyl-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]tricyclo[4.4.0.02,7]dec-4-en-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a310e4b64c4844ffb640760578c1197d.png "(1R,2R,8S)-1,5-dimethyl-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]tricyclo[4.4.0.02,7]dec-4-en-3-one")
(1R,2R,8S)-1,5-dimethyl-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]tricyclo[4.4.0.02,7]dec-4-en-3-one
structure -
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CAS No:
191613-38-4
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Formula:
C21H32O7
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Chemical Name:
(1R,2R,8S)-1,5-dimethyl-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]tricyclo[4.4.0.02,7]dec-4-en-3-one
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Synonyms:
tinocordiside;Tinocordiside;191613-38-4;DTXSID30940804;2-(6,8-Dimethyl-10-oxotricyclo[4.4.0.0~2,7~]dec-8-en-3-yl)propan-2-yl hexopyranoside
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CAS No:
(1R,2R,8S)-1,5-dimethyl-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]tricyclo[4.4.0.02,7]dec-4-en-3-one Basic Attributes
396.5 g/mol
396.21480336 g/mol
Computed Properties
Molecular Weight:396.5
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:396.21480336
Monoisotopic Mass:396.21480336
Topological Polar Surface Area:116
Heavy Atom Count:28
Complexity:688
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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