Butanedioic acid,mono[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrienyl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadienyl] ester|144860-68-4,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-

O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]

Tris(dibenzylideneacetone)dipalladium

C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C

Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Butanedioic acid,mono[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrienyl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadienyl] ester

CCCC[C@@]1(CC[C@@]2(O1)CC[C@@H]([C@H](O2)C/C=C(/C=C/[C@@H]([C@H](/C=C/C(=O)O)C)O)C)C)[C@@H](OC(=O)CCC(=O)[O-])/C=C/C(=C/C(=O)O)/C

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Chemical Name:	Butanedioic acid,mono[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrienyl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadienyl] ester
CAS Number:	144860-68-4
Product Number:	AG001K8I(AGN-PC-0PW8G0)
Synonyms:
MDL No:	MFCD08061898
Molecular Formula:	C36H51O11-
Molecular Weight:	659.7835

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Identification/Properties

Computed Properties

Molecular Weight:

660.801g/mol

XLogP3:

5.9

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

660.351g/mol

Monoisotopic Mass:

660.351g/mol

Topological Polar Surface Area:

177A^2

Heavy Atom Count:

Formal Charge:

Complexity:

1250

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-

Tris(dibenzylideneacetone)dipalladium

Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Butanedioic acid,mono[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrienyl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadienyl] ester

Identification/Properties

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NMR Spectrum

Other Analytical Data

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