Agrimol B, 99.75%

Name: Agrimol B
Brand: Chempure

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CAS Number

55576-66-4

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IUPAC name	(2S)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one
inchi	InChI=1S/C37H46O12/c1-9-12-23(38)25-32(44)19(29(41)17(5)36(25)48-7)14-21-31(43)22(35(47)27(34(21)46)28(40)16(4)11-3)15-20-30(42)18(6)37(49-8)26(33(20)45)24(39)13-10-2/h16,41-47H,9-15H2,1-8H3/t16-/m0/s1
inchi key	BVLHMPZMQVWDGX-INIZCTEOSA-N
molecular formula	C37H46O12
synonyms	Agrimol B 55576-66-4 (2S)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one (2S)-1-{3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}-2-methylbutan-1-one MFCD20527284

Computed Properties

Molecular Weight:	682.8 g/mol
XLogP3:	7.7
Hydrogen Bond Donor Count:	7
Hydrogen Bond Acceptor Count:	12
Rotatable Bond Count:	15
Exact Mass:	682.29892690 g/mol
Monoisotopic Mass:	682.29892690 g/mol
Topological Polar Surface Area:	211 Å²
Heavy Atom Count:	49
Formal Charge:	0
Complexity:	1030
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	1
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: AS0800

Agrimol B, 99.75%

Product No: AS0800

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Product No: AS0800

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Require a Sample Certificate of Analysis (COA) ?