 Home > Encyclopedia > [(8R,9S,13S,14S,17S)-2-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)-2-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)-2-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate structure

CAS No:
79787-03-4
Formula:
C32H32O5
Chemical Name:
[(8R,9S,13S,14S,17S)-2-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Synonyms:
2-HEDB;2-hydroxyestradiol-2,3-dibenzoate;79787-03-4;2-Hedb;2-Hydroxyestradiol-2,3-dibenzoate;DTXSID501000733;17-Hydroxyestra-1(10),2,4-triene-2,3-diyl dibenzoate;Estra-1,3,5(10)-triene-2,3,17-triol, 2,3-dibenzoate, (17beta)-

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[(8R,9S,13S,14S,17S)-2-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：

151 - 154 °C

Drug Information

MeSH Entry Terms：

2-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)-2-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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