Crotafoline

Catalog Number	ACM38494870
CAS Number	38494-87-0
Synonyms	(12ξ,13ξ)-12-Hydroxy-4-methyl-18-nor-4,8-secosenecionan-8,11,16-trione
Molecular Weight	351.4
InChI	InChI=1S/C18H25NO6/c1-4-12-9-11(2)15(20)18(23)24-10-13-5-7-19(3)8-6-14(16(13)21)25-17(12)22/h4-5,11,14-15,20H,6-10H2,1-3H3/b12-4-,13-5-/t11,14-,15/m1/s1
InChI Key	SBCVZQRQMVMRIC-OBFRPLTDSA-N
Purity	95%+
Complexity	609
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	351.16818752
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C\1/CC(C(C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)O)C
Monoisotopic Mass	351.16818752
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	93.1 Ų

Custom Q&A

What is the chemical name of Crotafoline?

The chemical name of Crotafoline is (12ξ,13ξ)-12-Hydroxy-4-methyl-18-nor-4,8-secosenecionan-8,11,16-trione.

What are some synonyms of Crotafoline?

Some synonyms of Crotafoline are Crotafoline and 12ξ-hydroxy-4-methyl-(13ξH)-4,8-seco-18-nor-senecionane-8,11,16-trione.

What is the CAS number of Crotafoline?

The CAS number of Crotafoline is 38494-87-0.

What is the molecular formula of Crotafoline?

The molecular formula of Crotafoline is C18H25NO6.

What is the molecular weight of Crotafoline?

The molecular weight of Crotafoline is 351.39.

How many carbon atoms are present in Crotafoline?

There are 18 carbon atoms present in Crotafoline.

What functional groups are present in Crotafoline?

The functional groups present in Crotafoline include hydroxyl, methyl, and secosenecionan.

What is the chemical structure of Crotafoline?

The chemical structure of Crotafoline is (12ξ,13ξ)-12-Hydroxy-4-methyl-18-nor-4,8-secosenecionan-8,11,16-trione.

What is the IUPAC name of Crotafoline?

The IUPAC name of Crotafoline is (3S,4S,4aR,8aS)-3,4,4a,7,8,8a-hexahydro-7-hydroxy-3,4-dimethyl-4, 8-ethano-1H-2-benzopyran-4,6(7H)-dione.

What is the bioactivity of Crotafoline?

Crotafoline has been shown to have anti-inflammatory and antispasmodic properties in various studies.

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