2-[[(3S,8R,9S,10R,13S,14S)-17-(carboxymethylsulfanyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]sulfanyl]acetic acid
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![2-[[(3S,8R,9S,10R,13S,14S)-17-(carboxymethylsulfanyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1fb22d66fe934869a4991960e78ce8c5.png "2-[[(3S,8R,9S,10R,13S,14S)-17-(carboxymethylsulfanyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]sulfanyl]acetic acid")
2-[[(3S,8R,9S,10R,13S,14S)-17-(carboxymethylsulfanyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]sulfanyl]acetic acid
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CAS No:
17990-63-5
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Formula:
C23H34O5S2
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Chemical Name:
2-[[(3S,8R,9S,10R,13S,14S)-17-(carboxymethylsulfanyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]sulfanyl]acetic acid
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Synonyms:
UNII-EXQ915206O;3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole;17990-63-5;EXQ915206O;NSC45417;DTXSID90170882;ZINC4804062;NSC 45417;NSC-45417;Q27277415
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CAS No:
2-[[(3S,8R,9S,10R,13S,14S)-17-(carboxymethylsulfanyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]sulfanyl]acetic acid Basic Attributes
454.6 g/mol
454.18476653 g/mol
EXQ915206O
45417
DTXSID90170882
Computed Properties
Molecular Weight:454.6
XLogP3:4.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:454.18476653
Monoisotopic Mass:454.18476653
Topological Polar Surface Area:145
Heavy Atom Count:30
Complexity:734
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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