 Home > Encyclopedia > (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one structure

CAS No:
76994-39-3
Formula:
C28H38O7
Chemical Name:
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Synonyms:
acnistin E;Acnistin E;Acnistin-E;76994-39-3;NSC 324043;Androst-2-en-1-one, 5,6-epoxy-4,17-dihydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxobicyclo(3.2.1)oct-7-yl)-, (4beta,5beta,6,beta,17beta,17(1R,4R,5R,7S))-;Cyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one, 5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydro-4,9-dihydroxy-9-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl]-9a,11b-dimethyl-, (4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-;dihydroxy-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-dimethyl-[?]one

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(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one Basic Attributes

Molecular Weight：

486.6 g/mol

Exact Mass：

486.26175355 g/mol

Characteristics

PSA：

117 Å²

Drug Information

MeSH Entry Terms：

acnistin E

Computed Properties

Molecular Weight:486.6
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:486.26175355
Monoisotopic Mass:486.26175355
Topological Polar Surface Area:117
Heavy Atom Count:35
Complexity:1070
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: levasole; ambroxol ambroxol; calcium bicarbonate; ca hypochlorite; acetanilide melting point; dimethyl terephthalate drugs

Guide of (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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