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(1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
(1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
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![(1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/228501b0cbb54b849c6dec282b89d7bd.png "(1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one")
(1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
structure -
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CAS No:
17503-05-8
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Formula:
C21H30O3
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Chemical Name:
(1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
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Synonyms:
17503-05-8;4,5-epoxypregnane-3,20-dione;DTXSID00938617;NSC36926;ZINC4783132;NSC-36926
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CAS No:
(1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one Basic Attributes
330.5 g/mol
330.21949481 g/mol
36926
Computed Properties
Molecular Weight:330.5
XLogP3:3.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:330.21949481
Monoisotopic Mass:330.21949481
Topological Polar Surface Area:46.7
Heavy Atom Count:24
Complexity:627
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
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