Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, (3E,3aS,4S,5S,6R)-
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![Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, (3E,3aS,4S,5S,6R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e98b10a451684ad6b65fd3a2a4393f47.png "Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, (3E,3aS,4S,5S,6R)-")
Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, (3E,3aS,4S,5S,6R)-
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CAS No:
81957-73-5
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Formula:
C24H28O4
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Chemical Name:
Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, (3E,3aS,4S,5S,6R)-
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Synonyms:
Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione,3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-,(3E,3aS,4S,5S,6R)-;Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione,3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-,[3aS-(3E,3aα,4α,5β,6α)]-;Angeolide;NSC 382181
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CAS No:
Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, (3E,3aS,4S,5S,6R)- Basic Attributes
380.47672
380.48
382181
DTXSID70714622
Computed Properties
Molecular Weight:380.5
XLogP3:4.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:380.19875937
Monoisotopic Mass:380.19875937
Topological Polar Surface Area:52.6
Heavy Atom Count:28
Complexity:873
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, (3E,3aS,4S,5S,6R)-
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