Acutumine

Catalog Number	ACM17088505
CAS Number	17088-50-5
Synonyms	(1R,3'aS,5S,7'aS,9'S)-9'-Chloro-2',3'-dihydro-5-hydroxy-4,6',7'-trimethoxy-1'-methylspiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione
Molecular Weight	397.8
InChI	InChI=1S/C19H24ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,24H,5-6,8-9H2,1-4H3/t12-,15+,17+,18+,19+/m0/s1
InChI Key	FSXRARBVZZKCGJ-FMAJMWNWSA-N
Purity	95%+
Complexity	793
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	397.1292152
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CN1CC[C@@]23[C@@]1(C[C@@H]([C@@]24[C@@H](C(=CC4=O)OC)O)Cl)C(=C(C(=O)C3)OC)OC
Monoisotopic Mass	397.1292152
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	85.3 Ų

Custom Q&A

What is the chemical formula for acutumine?

The chemical formula for acutumine is C19H24ClNO6.

What is the molecular weight of acutumine?

The molecular weight of acutumine is 397.85.

What is the melting point of acutumine?

The melting point of acutumine is 199-200 °C.

What is the boiling point of acutumine?

The predicted boiling point of acutumine is 667.3±55.0 °C.

What is the density of acutumine?

The predicted density of acutumine is 1.41±0.1 g/cm3.

What is the pKa value of acutumine?

The predicted pKa value of acutumine is 11.05±0.70.

What is the ChEBI definition of acutumine?

The ChEBI definition of acutumine is that it is an alkaloid.

What are some synonyms of acutumine?

Some synonyms of acutumine are acutumine and spiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione, 9'-chloro-2',3'-dihydro-5-hydroxy-4,6',7'-trimethoxy-1'-methyl-, (1R,3'aS,5S,7'aS,9'S)-.

What is the CAS number for acutumine?

The CAS number for acutumine is 17088-50-5.

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