2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate
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![2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3974f8d6c5d540eaaaa5dc6ee1cec601.png "2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate")
2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate
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CAS No:
26296-41-3
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Formula:
C24H41NO4
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Chemical Name:
2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate
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Synonyms:
Acetic acid,2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]-,2-(dimethylamino)ethyl ester,(2E)-;Cassaidine;8β-Podocarpane-Δ13,α-acetic acid,3β,7β-dihydroxy-14α-methyl-,2-(dimethylamino)ethyl ester,(E)-;Acetic acid,(dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene)-,2-(dimethylamino)ethyl ester,[1R-(1α,2E,4aα,4bβ,7β,8aα,10β,10aβ)]-;Acetic acid,[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]-,2-(dimethylamino)ethyl ester,(2E)-;2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate;468-75-7;11012-03-6
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CAS No:
Description
Cassaidine is a tricyclic diterpenoid that is is isolated from several plant species including Erythrophleum guineense and Erythrophleum ivorense. It is toxic with a digitalis like effect on the heart and a strong local anesthetic action. It has a role as a plant metabolite, a cardiotonic drug, a local anaesthetic, an antiseptic drug and an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is a tricyclic diterpenoid, a diol, an enoate ester and a tertiary amino compound. It derives from a hydride of a podocarpane.
2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate Basic Attributes
407.591
407.59
5KJ90W8Y3M
DTXSID40415098
Characteristics
70
3.4
1.097±0.06 g/cm3(Predicted)
113 °C
425 °C
D20 -98° (ethanol); D20 -104° (0.1N HCl)
Computed Properties
Molecular Weight:407.6
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:407.30355879
Monoisotopic Mass:407.30355879
Topological Polar Surface Area:70
Heavy Atom Count:29
Complexity:643
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(Dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetate
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