(2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
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![(2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2aed703b7faf465eb06c36af09938fc8.png "(2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol")
(2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
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CAS No:
313057-04-4
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Formula:
C35H48O7
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Chemical Name:
(2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
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Synonyms:
Schweinfurthin D;NSC713342;313057-04-4;SCHEMBL12845798;DTXSID70349216;NSC-713342;(2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
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CAS No:
(2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol Basic Attributes
580.7 g/mol
580.34000387 g/mol
713342
DTXSID70349216
Computed Properties
Molecular Weight:580.7
XLogP3:6.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:580.34000387
Monoisotopic Mass:580.34000387
Topological Polar Surface Area:120
Heavy Atom Count:42
Complexity:947
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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