 Home > Encyclopedia > [(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate

[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate

[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate structure

CAS No:
210046-65-4
Formula:
C33H42O10
Chemical Name:
[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
Synonyms:
NSC688237;CHEMBL1964386;ZINC5839381;MCULE-2496454046;NSC-688237;NCGC00385281-01;NCI60_031835;(triacetoxy-hydroxy-pentamethyl-oxo-[?]yl) benzoate;5,8,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxoparaliane;1H-Cyclopent[a]s-indacen-1-one, 4,8,9a-tris(acetyloxy)-7-(benzoyloxy)tetradecahydro-4a-hydroxy-2,2,3b,6,8a-pentamethyl-, (3aS,3bS,4R,4aR,6S,7S,7aR,8R,8aR,9aS)-;210046-65-4;NCGC00385281-01_C33H42O10_1H-Cyclopent[a]-s-indacen-1-one, 4,8,9a-tris(acetyloxy)-7-(benzoyloxy)tetradecahydro-4a-hydroxy-2,2,3b,6,8a-pentamethyl-, (3aS,3bS,4R,4aR,6S,7S,7aR,8R,8aR,9aS)-

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[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate Basic Attributes

Molecular Weight：

598.7 g/mol

Exact Mass：

598.27779753 g/mol

NSC Number：

688237

Characteristics

PSA：

143 Å²

Computed Properties

Molecular Weight:598.7
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:598.27779753
Monoisotopic Mass:598.27779753
Topological Polar Surface Area:143
Heavy Atom Count:43
Complexity:1220
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate

Basic Attributes
Characteristics
Computed Properties
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