Angustifoline

• CAS: 550-43-6
• Catalog Number: ACM550436
• Category: Other Products
• Molecular Weight: 234.34
• Synonyms: (1S,11aβ)-Decahydro-4β-(2-propenyl)-1β,5β-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
• InChI: InChI=1S/C14H22N2O/c1-2-4-12-11-7-10(8-15-12)13-5-3-6-14(17)16(13)9-11/h2,10-13,15H,1,3-9H2/t10-,11-,12+,13-/m1/s1
• InChI Key: VTIPIBIDDZPDAV-FVCCEPFGSA-N
• Melting Point: 79-80 °C
• Complexity: 328
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• Exact Mass: 234.17321333
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C=CC[C@H]1[C@@H]2C[C@H](CN1)[C@H]3CCCC(=O)N3C2
• Monoisotopic Mass: 234.17321333
• Physical State: Powder
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 32.3 Ų

Custom Q&A

What is the molecular formula of Angustifoline?

The molecular formula of Angustifoline is C14H22N2O.

Where is Angustifoline found naturally?

Angustifoline is a natural product found in Dermatophyllum secundiflorum, Ormosia jamaicensis, and Ormosia krugii.

What is the molecular weight of Angustifoline?

The molecular weight of Angustifoline is 234.34 g/mol.

What is the IUPAC name of Angustifoline?

The IUPAC name of Angustifoline is (1S,2R,9S,10S)-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.0 2,7]tridecan-6-one.

What is the InChIKey of Angustifoline?

The InChIKey of Angustifoline is VTIPIBIDDZPDAV-ZDEQEGDKSA-N.

What is the Canonical SMILES of Angustifoline?

The Canonical SMILES of Angustifoline is C=CCC1C2CC(CN1)C3CCCC(=O)N3C2.

How many hydrogen bond donor count does Angustifoline have?

Angustifoline has 1 hydrogen bond donor count.

What is the Topological Polar Surface Area of Angustifoline?

The Topological Polar Surface Area of Angustifoline is 32.3 Ų.

Does Angustifoline have any defined atom stereocenter count?

Yes, Angustifoline has 4 defined atom stereocenter count.

Is Angustifoline a covalently-bonded unit?

Yes, Angustifoline is a covalently-bonded unit.