Desmethylrocaglamide

Catalog Number	ACM146408788
CAS Number	146408-78-8
Molecular Weight	491.5
InChI	InChI=1S/C28H29NO7/c1-29-26(31)22-23(16-8-6-5-7-9-16)28(17-10-12-18(33-2)13-11-17)27(32,25(22)30)24-20(35-4)14-19(34-3)15-21(24)36-28/h5-15,22-23,25,30,32H,1-4H3,(H,29,31)/t22-,23-,25-,27+,28+/m1/s1
InChI Key	UUOCVXYUMKAOKK-GWNOIRNCSA-N
Purity	95%+
Complexity	782
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	491.19440226
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isomeric SMILES	CNC(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
Monoisotopic Mass	491.19440226
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	107 Ų

Custom Q&A

What is the full chemical name of Desmethylrocaglamide?

The full chemical name of Desmethylrocaglamide is 1H-Cyclopenta[b]benzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N-methyl-3-phenyl-, (1R,2R,3S,3aR,8bS)-.

What is the CAS number for Desmethylrocaglamide?

The CAS number for Desmethylrocaglamide is 146408-78-8.

What is the molecular formula of Desmethylrocaglamide?

The molecular formula of Desmethylrocaglamide is C28H29NO7.

What is the molecular weight of Desmethylrocaglamide?

The molecular weight of Desmethylrocaglamide is 491.53.

What is the predicted boiling point of Desmethylrocaglamide?

The predicted boiling point of Desmethylrocaglamide is 697.0±55.0 °C.

What is the predicted density of Desmethylrocaglamide?

The predicted density of Desmethylrocaglamide is 1.336±0.06 g/cm3.

What is the predicted pKa of Desmethylrocaglamide?

The predicted pKa of Desmethylrocaglamide is 11.58±0.70.

How many oxygen atoms are present in the molecular formula of Desmethylrocaglamide?

There are 7 oxygen atoms present in the molecular formula of Desmethylrocaglamide.

What functional groups are present in the chemical structure of Desmethylrocaglamide?

The chemical structure of Desmethylrocaglamide contains amide, hydroxyl, methoxy, and phenyl functional groups.

What is the stereochemistry of Desmethylrocaglamide?

The stereochemistry of Desmethylrocaglamide is (1R,2R,3S,3aR,8bS).

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