(16S,17S)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraene-4,18-dione
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![(16S,17S)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraene-4,18-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3b5c1fc10dce488d8db229638385153d.png "(16S,17S)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraene-4,18-dione")
(16S,17S)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraene-4,18-dione
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CAS No:
4867-21-4
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Formula:
C22H26O5
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Chemical Name:
(16S,17S)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraene-4,18-dione
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Synonyms:
(-)-7,8-Dihydro-12-oxocalanolide B;4867-21-4;NSC665158;2H,6H,12H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2,12-dione, 7,8,10,11-tetrahydro-6,6,10,11-tetramethyl-4-propyl-, (10S-trans)-;2H,6H,12H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-2,12-dione, 7,8,10,11-tetrahydro-6,6,10,11-tetramethyl-4-propyl-, (10S-trans)-;NSC 665158;CHEMBL337344;DTXSID90197574;7,8-Dihydro-12-oxocalanolide B;(+/-)-trans-7,8-Dihydroketone;ZINC1640480;NSC692289;NSC-692289;(?)-7,8-Dihydro-12-oxocalanolide B;(+/-)-trans-7,8-Dihydro-12-oxocalanolide B;2H,6H,10H-Benzo[1,2-b3,4-b'5,6-b]tripyran-8,10(7H)- dione deriv.
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CAS No:
(16S,17S)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraene-4,18-dione Basic Attributes
370.4 g/mol
370.17802393 g/mol
692289
DTXSID90197574
Computed Properties
Molecular Weight:370.4
XLogP3:4.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:370.17802393
Monoisotopic Mass:370.17802393
Topological Polar Surface Area:61.8
Heavy Atom Count:27
Complexity:666
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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