Cascarillin
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Cascarillin
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CAS No:
10118-56-6
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Formula:
C22H32O7
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Chemical Name:
Cascarillin
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Synonyms:
1-Naphthalenecarboxaldehyde,3-(acetyloxy)-1-[(2R)-2-(3-furanyl)-2-hydroxyethyl]decahydro-5,6-dihydroxy-2,4a,5-trimethyl-,(1S,2S,3R,4aR,5R,6R,8aS)-;Cascarillin;1-Naphthalenecarboxaldehyde,3-(acetyloxy)-1-[2-(3-furanyl)-2-hydroxyethyl]decahydro-5,6-dihydroxy-2,4a,5-trimethyl-,[1S-[1α,1(S*),2α,3α,4aα,5β,6α,8aβ]]-;(1S,2S,3R,4aR,5R,6R,8aS)-3-(Acetyloxy)-1-[(2R)-2-(3-furanyl)-2-hydroxyethyl]decahydro-5,6-dihydroxy-2,4a,5-trimethyl-1-naphthalenecarboxaldehyde;1398-46-5
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CAS No:
Computed Properties
Molecular Weight:408.5
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:408.21480336
Monoisotopic Mass:408.21480336
Topological Polar Surface Area:117
Heavy Atom Count:29
Complexity:639
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes