(-)-Ambelline
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(-)-Ambelline
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CAS No:
3660-62-6
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Formula:
C18H21NO5
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Chemical Name:
(-)-Ambelline
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Synonyms:
3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol,4,4a-dihydro-3,7-dimethoxy-,(3R,4aR,5R,11bR,12S)-;Ambelline;Crinan-12-ol,1,2-didehydro-3α,7-dimethoxy-;Crinan-11-ol,1,2-didehydro-3,7-dimethoxy-,(3α,11S)-;(3R,4aR,5R,11bR,12S)-4,4a-Dihydro-3,7-dimethoxy-3H,6H-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol;3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol,4,4a-dihydro-3,7-dimethoxy-,[3R-(3α,4aα,5β,11bβ,12S*)]-;(-)-Ambelline;NSC 155222
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CAS No:
Characteristics
60.39000
1.13320
1.41g/cm3
253-255 °C (decomp) @ Solvent: Methanol
504.1ºC at 760 mmHg
258.7ºC
1.66
Computed Properties
Molecular Weight:331.4
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:331.14197277
Monoisotopic Mass:331.14197277
Topological Polar Surface Area:60.4
Heavy Atom Count:24
Complexity:542
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes