 Home > Encyclopedia > 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone

1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone

1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone structure

CAS No:
17975-91-6
Formula:
C21H31IO3
Chemical Name:
1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Synonyms:
17975-91-6;NSC45883;DTXSID30939253;ZINC4806179;NSC-45883;3,17-Dihydroxy-16-iodopregn-5-en-20-one

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1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone Basic Attributes

Molecular Weight：

458.4 g/mol

Exact Mass：

458.13179 g/mol

NSC Number：

45883

Characteristics

PSA：

57.5 Å²

Computed Properties

Molecular Weight:458.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:458.13179
Monoisotopic Mass:458.13179
Topological Polar Surface Area:57.5
Heavy Atom Count:25
Complexity:631
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methanol structure; sodium amytal; menadione; ammonium carbonate formula; pyrazole; denatonium benzoate

Guide of 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-16-iodo-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Basic Attributes
Characteristics
Computed Properties

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