(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2H-benzo[a]quinolizin-8-ol
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![(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2H-benzo[a]quinolizin-8-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b369e02f1c8a4988bf559ce4fac5d194.png "(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2H-benzo[a]quinolizin-8-ol")
(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2H-benzo[a]quinolizin-8-ol
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CAS No:
13849-53-1
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Formula:
C29H37N3O3
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Chemical Name:
(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2H-benzo[a]quinolizin-8-ol
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Synonyms:
2H-Benzo[a]quinolizin-8-ol,3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-,(2S,3R,11bS)-;Tubulosan-9-ol,10,11-dimethoxy-;(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2H-benzo[a]quinolizin-8-ol;Alangimarckine;(-)-Alangimarckine;2H-Benzo[a]quinolizin-8-ol,3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-,[2S-[2α(S*),3β,11bβ]]-
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CAS No:
Description
Alangimarckine is a member of the class of beta-carbolines that is tubulosan bearing methoxy groups at positions 10 and 11 as well as a hydroxy group at position 9. It has a role as a plant metabolite. It is an isoquinoline alkaloid, a member of isoquinolines, an aromatic ether, a member of beta-carbolines, a secondary amino compound, a tertiary amino compound and a member of phenols. It derives from a tubulosan.
(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2H-benzo[a]quinolizin-8-ol Basic Attributes
475.6 g/mol
475.62
DTXSID30331753
Computed Properties
Molecular Weight:475.6
XLogP3:4.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:475.28349205
Monoisotopic Mass:475.28349205
Topological Polar Surface Area:69.8
Heavy Atom Count:35
Complexity:723
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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