Arnifolin

• Catalog Number: ACM25644080
• Product Name: Arnifolin
• CAS: 25644-08-0
• Category: Main Products
• Synonyms: CID6450253, CID 6450253, 2-Butanoic acid, 2-methyl-, dodecahydro-7-hydroxy-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno(6,5-b)furan-4-yl ester, 25644-08-0
• IUPAC Name: (6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl) (E)-2-methylbut-2-enoate
• Molecular Weight: 362.42
• Molecular Formula: C₂₀H₂₆O₆
• Canonical SMILES: CC=C(C)C(=O)OC1C2C(CC(C3C1(C(=O)CC3O)C)C)OC(=O)C2=C
• InChI Key: OUCLBKPZGHAPKI-RMKNXTFCSA-N
• Boiling Point: 536.4ºC at 760 mmHg
• Flash Point: 187.6ºC
• Density: 1.23g/cm³
• Appearance: White powder
• Exact Mass: 362.17300
• H-Bond Acceptor: 6
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of arnifolin?

The molecular formula of arnifolin is C20H26O6.

What are the synonyms for arnifolin?

The synonyms for arnifolin include 25644-08-0 and 2-Butanoic acid, 2-methyl-, dodecahydro-7-hydroxy-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno(6,5-b)furan-4-yl ester.

What is the molecular weight of arnifolin?

The molecular weight of arnifolin is 362.4 g/mol.

When was arnifolin created and modified?

Arnifolin was created on July 8, 2013, and modified on October 21, 2023.

What is the IUPAC name of arnifolin?

The IUPAC name of arnifolin is [(3aR,5R,5aS,6S,8aR,9S)-6-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate.

What is the InChI of arnifolin?

The InChI of arnifolin is InChI=1S/C20H26O6/c1-6-9(2)18(23)26-17-15-11(4)19(24)25-13(15)7-10(3)16-12(21)8-14(22)20(16,17)5/h6,10,12-13,15-17,21H,4,7-8H2,1-3,5H3/b9-6+/t10-,12+,13-,15?,16-,17+,20-/m1/s1.

What is the InChIKey of arnifolin?

The InChIKey of arnifolin is OUCLBKPZGHAPKI-YHZZRETCSA-N.

What is the canonical SMILES of arnifolin?

The canonical SMILES of arnifolin is CC=C(C)C(=O)OC1C2C(CC(C3C1(C(=O)CC3O)C)C)OC(=O)C2=C.

What is the CAS identification number for arnifolin?

The CAS identification number for arnifolin is 25644-08-0.

What is the XLogP3-AA value of arnifolin?

The XLogP3-AA value of arnifolin is 2.2.