(2S,4aS,4bR,6aS,12bS,12cS,14aS)-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-Tetradecahydro-α,α,4a,12b,12c-pentamethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol
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![(2S,4aS,4bR,6aS,12bS,12cS,14aS)-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-Tetradecahydro-α,α,4a,12b,12c-pentamethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5aec3de94fac4e03a2f52dda343f8063.png "(2S,4aS,4bR,6aS,12bS,12cS,14aS)-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-Tetradecahydro-α,α,4a,12b,12c-pentamethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol")
(2S,4aS,4bR,6aS,12bS,12cS,14aS)-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-Tetradecahydro-α,α,4a,12b,12c-pentamethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol
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CAS No:
11024-56-9
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Formula:
C28H39NO2
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Chemical Name:
(2S,4aS,4bR,6aS,12bS,12cS,14aS)-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-Tetradecahydro-α,α,4a,12b,12c-pentamethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol
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Synonyms:
2H-1-Benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol,3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-α,α,4a,12b,12c-pentamethyl-,(2S,4aS,4bR,6aS,12bS,12cS,14aS)-;2H-1-Benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol,3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-α,α,4a,12b,12c-pentamethyl-,[2S-(2α,4aα,4bβ,6aα,12bβ,12cα,14aβ)]-;(2S,4aS,4bR,6aS,12bS,12cS,14aS)-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-Tetradecahydro-α,α,4a,12b,12c-pentamethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol;Paspaline;Paspalin;(-)-Paspaline
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CAS No:
(2S,4aS,4bR,6aS,12bS,12cS,14aS)-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-Tetradecahydro-α,α,4a,12b,12c-pentamethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-2-methanol Basic Attributes
421.6 g/mol
421.61
3Q9SGU351D
Computed Properties
Molecular Weight:421.6
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:421.298079487
Monoisotopic Mass:421.298079487
Topological Polar Surface Area:45.2
Heavy Atom Count:31
Complexity:737
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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