 Home > Encyclopedia > (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one structure

CAS No:
5767-93-1
Formula:
C22H34O2S2
Chemical Name:
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
Synonyms:
NSC61696;5767-93-1;DTXSID90289509;NSC-61696

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(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one Basic Attributes

Molecular Weight：

394.6 g/mol

Exact Mass：

394.20002267 g/mol

NSC Number：

61696

DSSTox ID：

DTXSID90289509

Characteristics

PSA：

76.9 Å²

Computed Properties

Molecular Weight:394.6
XLogP3:6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:394.20002267
Monoisotopic Mass:394.20002267
Topological Polar Surface Area:76.9
Heavy Atom Count:26
Complexity:601
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dithiolan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one

Basic Attributes
Characteristics
Computed Properties

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