(1S,3E,5R,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione


Chemical Name: (1S,3E,5R,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
CAS Number: 78824-30-3
Product Number: AG00G3CO(AGN-PC-04Y363)
Synonyms:
MDL No: MFCD03700761
Molecular Formula: C38H50O6
Molecular Weight: 602.8000

Identification/Properties


Computed Properties
Molecular Weight:
602.812g/mol
XLogP3:
10.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
10
Exact Mass:
602.361g/mol
Monoisotopic Mass:
602.361g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
44
Formal Charge:
0
Complexity:
1300
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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