(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol
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![(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cea68593a80a4e659d64683365427b0f.png "(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol")
(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol
structure -
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CAS No:
111238-25-6
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Formula:
C20H16O3
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Chemical Name:
(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol
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Synonyms:
cholanthrene-9,10-diol-7,8-epoxide;111238-25-6;Cholanthrene-9,10-diol-7,8-epoxide;DTXSID30912066;Indeno(7',1':6,7,8)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,6,7,11c-hexahydro-, (1aalpha,2beta,3alpha,11calpha)-;1a,2,3,6,7,11c-Hexahydrocyclopenta[7,8]tetrapheno[1,2-b]oxirene-2,3-diol
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CAS No:
(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol Basic Attributes
304.3 g/mol
304.109944368 g/mol
Computed Properties
Molecular Weight:304.3
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:304.109944368
Monoisotopic Mass:304.109944368
Topological Polar Surface Area:53
Heavy Atom Count:23
Complexity:507
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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