(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione
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![(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/912fe5f6881144bab352fd9ef8b661ea.png "(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione")
(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione
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CAS No:
102694-30-4
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Formula:
C20H14O7
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Chemical Name:
(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione
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Synonyms:
Stemphyltoxin I;102694-30-4;Stempyltoxin I;(7ar,8ar,8bs,8cr,9s)-1,6,8c,9-tetrahydroxy-7a,8a,8b,8c,9,10-hexahydroperylo[1,2-b]oxirene-7,11-dione;DTXSID30908000;1,6,8c,9-Tetrahydroxy-7a,8a,8b,8c,9,10-hexahydroperylo[1,2-b]oxirene-7,11-dione;Perylo(1,2-b)oxirene-7,11-dione, 7a,8a,8b,8c,9,10-hexahydro-1,6,8c,9- tetrahydroxy-, (7aR-(7aalpha,8aalpha,8bbeta,8calpha,9alpha))-
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CAS No:
(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione Basic Attributes
366.3 g/mol
366.07395278 g/mol
Computed Properties
Molecular Weight:366.3
XLogP3:0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Exact Mass:366.07395278
Monoisotopic Mass:366.07395278
Topological Polar Surface Area:128
Heavy Atom Count:27
Complexity:723
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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