 Home > Encyclopedia > [(8R,9S,13S,14S,17S)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

[(8R,9S,13S,14S,17S)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

[(8R,9S,13S,14S,17S)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate structure

CAS No:
79795-26-9
Formula:
C32H32O5
Chemical Name:
[(8R,9S,13S,14S,17S)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Synonyms:
4-HEDB;4-hydroxyestradiol-3,4-dibenzoate;79795-26-9;4-Hedb;4-Hydroxyestradiol-3,4-dibenzoate;DTXSID001000740;17-Hydroxyestra-1,3,5(10)-triene-3,4-diyl dibenzoate;Estra-1,3,5(10)-triene-3,4,17-triol, 3,4-dibenzoate, (17beta)-

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[(8R,9S,13S,14S,17S)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate Basic Attributes

Molecular Weight：

496.6 g/mol

Exact Mass：

496.22497412 g/mol

Characteristics

PSA：

72.8 Å²

XLogP3：

6.342

Melting Point：

59 - 60.5 °C

Drug Information

MeSH Entry Terms：

4-HEDB

Computed Properties

Molecular Weight:496.6
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:496.22497412
Monoisotopic Mass:496.22497412
Topological Polar Surface Area:72.8
Heavy Atom Count:37
Complexity:829
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(8R,9S,13S,14S,17S)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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