methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
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methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
structure -
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CAS No:
33512-87-7
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Formula:
C33H50O5
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Chemical Name:
methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
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Synonyms:
33512-87-7;methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate;NSC125855;DTXSID30298756;NSC-125855
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CAS No:
methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate Basic Attributes
526.7 g/mol
526.36582469 g/mol
125855
DTXSID30298756
Computed Properties
Molecular Weight:526.7
XLogP3:6.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:526.36582469
Monoisotopic Mass:526.36582469
Topological Polar Surface Area:69.7
Heavy Atom Count:38
Complexity:1080
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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