(2R,3aR,7S,7aS)-3a,7-dihydroxy-2,5,7-trimethylspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one
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![(2R,3aR,7S,7aS)-3a,7-dihydroxy-2,5,7-trimethylspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fc0270e358fa465297a1d94085b75cb7.png "(2R,3aR,7S,7aS)-3a,7-dihydroxy-2,5,7-trimethylspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one")
(2R,3aR,7S,7aS)-3a,7-dihydroxy-2,5,7-trimethylspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one
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CAS No:
124818-28-6
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Formula:
C14H20O3
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Chemical Name:
(2R,3aR,7S,7aS)-3a,7-dihydroxy-2,5,7-trimethylspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one
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Synonyms:
ptaquilosin;Ptaquilosin;124818-28-6;DTXSID80154494;AKOS032962569;1',3'a,4',7'a-Tetrahydro-4',7'a-dihydroxy-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-3'(2'H)-one (2'R-(2'alpha,3'aalpha,4'beta,7'aalpha))-;Spiro(cyclopropane-1,5'-(5H)inden)-3'(2'H)-one, 1',3'a,4',7'a-tetrahydro-4',7'a-dihydroxy-2',4',6'-trimethyl-, (2'R-(2'alpha,3'aalpha,4'beta,7'aalpha))-
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CAS No:
(2R,3aR,7S,7aS)-3a,7-dihydroxy-2,5,7-trimethylspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one Basic Attributes
236.31 g/mol
236.14124450 g/mol
DTXSID80154494
Computed Properties
Molecular Weight:236.31
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:236.14124450
Monoisotopic Mass:236.14124450
Topological Polar Surface Area:57.5
Heavy Atom Count:17
Complexity:435
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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