rel-Ethyl (2E)-2-[(4aR,4bS,7R,8aS,10aR)-7-(acetyloxy)dodecahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]acetate
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![rel-Ethyl (2E)-2-[(4aR,4bS,7R,8aS,10aR)-7-(acetyloxy)dodecahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6f35435ddc0d402bb32e78f5319f374f.png "rel-Ethyl (2E)-2-[(4aR,4bS,7R,8aS,10aR)-7-(acetyloxy)dodecahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]acetate")
rel-Ethyl (2E)-2-[(4aR,4bS,7R,8aS,10aR)-7-(acetyloxy)dodecahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]acetate
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CAS No:
5990-39-6
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Formula:
C23H36O4
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Chemical Name:
rel-Ethyl (2E)-2-[(4aR,4bS,7R,8aS,10aR)-7-(acetyloxy)dodecahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]acetate
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Synonyms:
Acetic acid,2-[(4aR,4bS,7R,8aS,10aR)-7-(acetyloxy)dodecahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]-,ethyl ester,(2E)-rel-;Podocarpane-Δ13,α-acetic acid,3β-hydroxy-,ethyl ester,acetate,(E)-(±)-;rel-Ethyl (2E)-2-[(4aR,4bS,7R,8aS,10aR)-7-(acetyloxy)dodecahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]acetate
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CAS No:
rel-Ethyl (2E)-2-[(4aR,4bS,7R,8aS,10aR)-7-(acetyloxy)dodecahydro-4b,8,8-trimethyl-2(1H)-phenanthrenylidene]acetate Basic Attributes
466.54400
376.53
DTXSID40409851
Computed Properties
Molecular Weight:466.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:466.22678564
Monoisotopic Mass:466.22678564
Topological Polar Surface Area:75.7
Heavy Atom Count:34
Complexity:760
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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