(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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![(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/200a5916c1f44d6093f37d734183247b.png "(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one")
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
structure -
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CAS No:
28990-01-4
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Formula:
C21H30O4
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Chemical Name:
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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Synonyms:
17alpha-hydroperoxyprogesterone;progesterone 17 alpha-hydroperoxide;17alpha-Hydroperoxyprogesterone;28990-01-4;Progesterone 17alpha-hydroperoxide;SCHEMBL11101324;DTXSID40951608;17-Hydroperoxypregn-4-ene-3,20-dione;17a-hydroperoxypregn-4-ene-3,20-dione;(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;Pregn-4-ene-3,20-dione, 17-hydroperoxy-
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CAS No:
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Basic Attributes
346.5 g/mol
346.21440943 g/mol
Computed Properties
Molecular Weight:346.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:346.21440943
Monoisotopic Mass:346.21440943
Topological Polar Surface Area:63.6
Heavy Atom Count:25
Complexity:652
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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