 Home > Encyclopedia > (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one

(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one

(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one structure

CAS No:
1780-98-9
Formula:
C21H31BrO4
Chemical Name:
(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Synonyms:
16 beta-bromo-3 beta,17 alpha-dihydroxy-5 alpha-pregnane-11,20-dione;16beta-Bromo-3beta,17alpha-dihydroxy-5alpha-pregnane-11,20-dione;1780-98-9;16-beta-Bromo-3-beta,17-alpha-dihydroxy-5-alpha-pregnane-11,20-dione;DTXSID40939022;5-alpha-Pregnane-11,20-dione, 16-beta-bromo-3-beta,17-alpha-dihydroxy-;16-Bromo-3,17-dihydroxypregnane-11,20-dione

Request for Quotation

(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Basic Attributes

Molecular Weight：

427.4 g/mol

Exact Mass：

426.14057 g/mol

Characteristics

PSA：

74.6 Å²

XLogP3：

3.2625

Melting Point：

None °C

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
REPRODUCTIVE DATA	TDLo - Lowest published toxic dose	Subcutaneous	Rodent - rat	270 mg/kg,female 13-21 day(s) after conception	Reproductive-Specific Developmental Abnormalities-urogenital system	Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939- Volume(issue)/page/year: 71,289,1976

Drug Information

MeSH Entry Terms：

16 beta-bromo-3 beta,17 alpha-dihydroxy-5 alpha-pregnane-11,20-dione

Computed Properties

Molecular Weight:427.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:426.14057
Monoisotopic Mass:426.14057
Topological Polar Surface Area:74.6
Heavy Atom Count:26
Complexity:650
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: ethanolamine; 1-bromopropane; pcl3 compound name; sulfur trioxide; h2s compound name; alumina molar mass

Guide of (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one

Basic Attributes
Characteristics
Toxicity
Drug Information
Computed Properties

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