[(3S,5R,7S,10S,13R,14R,17R)-7-hydroperoxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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[(3S,5R,7S,10S,13R,14R,17R)-7-hydroperoxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
structure -
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CAS No:
19666-89-8
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Formula:
C32H54O4
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Chemical Name:
[(3S,5R,7S,10S,13R,14R,17R)-7-hydroperoxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
NSC14329;HYDROPEROXIDE, ACETATE;NSC-14329;19666-89-8
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CAS No:
[(3S,5R,7S,10S,13R,14R,17R)-7-hydroperoxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
502.8 g/mol
502.40221020 g/mol
14329
Computed Properties
Molecular Weight:502.8
XLogP3:8.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:502.40221020
Monoisotopic Mass:502.40221020
Topological Polar Surface Area:55.8
Heavy Atom Count:36
Complexity:873
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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