[1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate
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![[1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/74c5ee5d5ac14195bf43b15c6c98f1ce.png "[1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate")
[1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate
structure -
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CAS No:
64854-98-4
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Formula:
C33H42O8
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Chemical Name:
[1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate
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Synonyms:
Candletoxin B;64854-98-4;BRN 2320031;Benzeneacetic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-1-((2-methyl-1-oxobutoxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester;DTXSID60983446;{4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-5-oxo-9a-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl}methyl 2-methylbutanoate
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CAS No:
[1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate Basic Attributes
566.7 g/mol
566.28796829 g/mol
Computed Properties
Molecular Weight:566.7
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:566.28796829
Monoisotopic Mass:566.28796829
Topological Polar Surface Area:130
Heavy Atom Count:41
Complexity:1150
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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