N,N-Dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester
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![N,N-Dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e4807825932a4f2e9ca799d14e916507.png "N,N-Dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester")
N,N-Dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester
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CAS No:
113462-26-3
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Formula:
C27H43NO8
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Chemical Name:
N,N-Dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester
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Synonyms:
β-Alanine,N,N-dimethyl-,(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester;β-Alanine,N,N-dimethyl-,5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester,[3R-(3α,4aβ,5β,6β,6aα,10α,10aβ,10bα)]-;1H-Naphtho[2,1-b]pyran,β-alanine deriv.;N,N-Dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester;(+)-(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-Dodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-1H-naphtho[2,1-b]pyran-1-one 5-acetate 6-ester with N,N-dimethyl-β-alanine;6-(3-Dimethylaminopropionyl)forskolin
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CAS No:
Description
Colforsin daropate is a carboxylic ester resuting from the formal condensation of the carboxy group of N,N-dimethyl-beta-alanine with the 6-hydroxy group of forskolin. It is an adenylate cyclase activator. It has a role as a cardiotonic drug, an adenylate cyclase agonist, a vasodilator agent and an antihypertensive agent. It is an acetate ester, an organic heterotricyclic compound, a carboxylic ester, a cyclic ketone, a diol and a tertiary amino compound. It derives from a forskolin. It is a conjugate base of a colforsin daropate(1+).
N,N-Dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester Basic Attributes
509.6 g/mol
509.63
1196KQZ976
DTXSID20150415
Computed Properties
Molecular Weight:509.6
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:509.29886733
Monoisotopic Mass:509.29886733
Topological Polar Surface Area:123
Heavy Atom Count:36
Complexity:933
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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