D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid,3,12-bis(acetyloxy)-1,14:21,23-diepoxy-6,15-dihydroxy-4,4-dimethyl-16-oxo-,methyl ester,(1α,3β,5β,6R,12α,13α,14β,15β,17aα)-
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D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid,3,12-bis(acetyloxy)-1,14:21,23-diepoxy-6,15-dihydroxy-4,4-dimethyl-16-oxo-,methyl ester,(1α,3β,5β,6R,12α,13α,14β,15β,17aα)-
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CAS No:
133585-56-5
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Formula:
C31H40O12
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Chemical Name:
D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid,3,12-bis(acetyloxy)-1,14:21,23-diepoxy-6,15-dihydroxy-4,4-dimethyl-16-oxo-,methyl ester,(1α,3β,5β,6R,12α,13α,14β,15β,17aα)-
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Synonyms:
7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid,5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-α,1-dihydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-,methyl ester,(αR,1S,4S,4aR,5S,7S,7aR,8R,10S,11aS,12aS)-;D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid,3,12-bis(acetyloxy)-1,14:21,23-diepoxy-6,15-dihydroxy-4,4-dimethyl-16-oxo-,methyl ester,(1α,3β,5β,6R,12α,13α,14β,15β,17aα)-;7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin,D-homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid deriv.;6-Hydroxysandoricin;NSC 622492
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CAS No:
D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid,3,12-bis(acetyloxy)-1,14:21,23-diepoxy-6,15-dihydroxy-4,4-dimethyl-16-oxo-,methyl ester,(1α,3β,5β,6R,12α,13α,14β,15β,17aα)- Basic Attributes
604.6 g/mol
604.64
Computed Properties
Molecular Weight:604.6
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:604.25197671
Monoisotopic Mass:604.25197671
Topological Polar Surface Area:168
Heavy Atom Count:43
Complexity:1210
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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