(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-Dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethylcyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one
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![(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-Dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethylcyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2b6b194fd8e34f09980c2d9cb40fe145.png "(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-Dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethylcyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one")
(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-Dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethylcyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one
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CAS No:
10062-39-2
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Formula:
C27H45NO
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Chemical Name:
(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-Dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethylcyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one
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Synonyms:
Cyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one,8-[(1R)-1,5-dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethyl-,(5aR,5bS,7aR,8R,10aS,10bS)-;3-Aza-A-homocholest-4a-en-4-one;Cyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one,8β-(1,5-dimethylhexyl)-4,5,5a,5bα,6,7,7a,8,9,10,10aα,10bβ,11,12-tetradecahydro-5aβ,7aβ-dimethyl-;Cyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one,8-(1,5-dimethylhexyl)-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethyl-;(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-Dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethylcyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one;NSC 61704
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CAS No:
Description
ChEBI: A member of the class of caprolactams resulting from the Beckmann rearrangement of the oxime derivative of cholest-4-en-3-one.
3-aza-A-homocholest-4a-en-4-one is a member of the class of caprolactams resulting from the Beckmann rearrangement of the oxime derivative of cholest-4-en-3-one. It is a member of caprolactams, an organic heterotetracyclic compound and a semisynthetic derivative. It derives from a hydride of a cholestane.
(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-Dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethylcyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one Basic Attributes
399.663
399.65
TXL8V3W6Q9
61704
DTXSID10143432
Computed Properties
Molecular Weight:399.7
XLogP3:8.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:399.350115059
Monoisotopic Mass:399.350115059
Topological Polar Surface Area:29.1
Heavy Atom Count:29
Complexity:651
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-Dimethylhexyl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-5a,7a-dimethylcyclopenta[5,6]naphth[1,2-d]azepin-2(3H)-one
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