 Home > Encyclopedia > (2S,5S,6R,14R,15S,16R)-20-(dimethylamino)-2-hydroxy-2-prop-1-ynylhexacyclo[14.7.1.01,5.06,15.09,14.017,22]tetracosa-9,17(22),18,20-tetraen-11-one

(2S,5S,6R,14R,15S,16R)-20-(dimethylamino)-2-hydroxy-2-prop-1-ynylhexacyclo[14.7.1.01,5.06,15.09,14.017,22]tetracosa-9,17(22),18,20-tetraen-11-one

(2S,5S,6R,14R,15S,16R)-20-(dimethylamino)-2-hydroxy-2-prop-1-ynylhexacyclo[14.7.1.01,5.06,15.09,14.017,22]tetracosa-9,17(22),18,20-tetraen-11-one structure

CAS No:
156383-09-4
Formula:
C29H35NO2
Chemical Name:
(2S,5S,6R,14R,15S,16R)-20-(dimethylamino)-2-hydroxy-2-prop-1-ynylhexacyclo[14.7.1.01,5.06,15.09,14.017,22]tetracosa-9,17(22),18,20-tetraen-11-one
Synonyms:
4'-(dimethylamino)-17-hydroxy-17-(1-propynyl)benzo(12,12a)-11,18-cyclo-12a,12b-dihomo-estr-4-en-3-one;4'-dimethylamino-17beta-hydroxy-17alpha-(1-propynyl)benzo(12,12a)-11alpha,18-cyclo-12a,12b-dihomo-13alpha-estr-4-en-3-one;DHPBCDE;Dhpbcde;156383-09-4;SCHEMBL15093928;DTXSID90935433;4'-(Dimethylamino)-17-hydroxy-17-(1-propynyl)benzo(12,12a)-11,18-cyclo-12a,12b-dihomo-estr-4-en-3-one;4'-Dimethylamino-17beta-hydroxy-17alpha-(1-propynyl)benzo(12,12a)-11alpha,18-cyclo-12a,12b-dihomo-13alpha-estr-4-en-3-one;3-(Dimethylamino)-6-hydroxy-6-(prop-1-yn-1-yl)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-5a,15-methanobenzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one

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(2S,5S,6R,14R,15S,16R)-20-(dimethylamino)-2-hydroxy-2-prop-1-ynylhexacyclo[14.7.1.01,5.06,15.09,14.017,22]tetracosa-9,17(22),18,20-tetraen-11-one Basic Attributes

Molecular Weight：

429.6 g/mol

Exact Mass：

429.266779359 g/mol

Characteristics

PSA：

40.5 Å²

Drug Information

MeSH Entry Terms：

4'-(dimethylamino)-17-hydroxy-17-(1-propynyl)benzo(12,12a)-11,18-cyclo-12a,12b-dihomo-estr-4-en-3-one

Computed Properties

Molecular Weight:429.6
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:429.266779359
Monoisotopic Mass:429.266779359
Topological Polar Surface Area:40.5
Heavy Atom Count:32
Complexity:907
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S,5S,6R,14R,15S,16R)-20-(dimethylamino)-2-hydroxy-2-prop-1-ynylhexacyclo[14.7.1.01,5.06,15.09,14.017,22]tetracosa-9,17(22),18,20-tetraen-11-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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