(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole
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![(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eaade2bc3cf041169bc0bef84371c4ca.png "(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole")
(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole
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CAS No:
5516-85-8
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Formula:
C23H28N4
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Chemical Name:
(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole
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Synonyms:
3a,3′a(1H,1′H)-Bipyrrolo[2,3-b]indole,2,2′,3,3′,8,8′,8a,8′a-octahydro-1,1′,8-trimethyl-,(3aR,3′aR,8aS,8′aR)-;Calycanthidine;Pyrrolo[2,3-b]indole,calycanthidine deriv.;(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole;Stereoisomer of 2,2′,3,3′,8,8,8a,8′a-octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole;1349-42-4;30628-48-9
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CAS No:
Description
(+)-calycanthidine is a calycanthidine. It derives from a (+)-chimonanthine. It is an enantiomer of a (-)-calycanthidine.
(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole Basic Attributes
360.5
360.50
Computed Properties
Molecular Weight:360.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:360.23139691
Monoisotopic Mass:360.23139691
Topological Polar Surface Area:21.8
Heavy Atom Count:27
Complexity:609
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole
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