(3S,12S)-22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one
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![(3S,12S)-22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c0ad237441db46e1a6c30722ddf4d0a4.png "(3S,12S)-22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one")
(3S,12S)-22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one
structure -
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CAS No:
82-11-1
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Formula:
C23H22O7
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Chemical Name:
(3S,12S)-22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one
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Synonyms:
b-toxicarol;82-11-1;SCHEMBL5699248;DTXSID101002363;10H-Bis(1)benzopyrano(3,4-b:6',7'-e)pyran-14(6H)-one, 6a,14a-dihydro-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-, (6aS-cis)-;13-Hydroxy-2,3-dimethoxy-10,10-dimethyl-6a,14a-dihydro-10H-[1]benzopyrano[4',3':5,6]pyrano[3,2-g][1]benzopyran-14(6H)-one
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CAS No:
(3S,12S)-22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one Basic Attributes
410.4 g/mol
410.13655304 g/mol
Computed Properties
Molecular Weight:410.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:410.13655304
Monoisotopic Mass:410.13655304
Topological Polar Surface Area:83.4
Heavy Atom Count:30
Complexity:706
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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