Quassin

• Catalog Number: ACM76788
• Product Name: Quassin
• CAS: 76-78-8
• Category: Heterocyclic Organic Compound
• Synonyms: (3AS,6aR,7aS,8S,11aS,11bS,11cS)-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a,11c-tetramethyldibenzo(de,g)chromene-1,5,11-trione;Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy-
• Molecular Weight: 388.5
• Molecular Formula: C22H28O6
• Canonical SMILES: CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC
• InChI: InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
• InChI Key: IOSXSVZRTUWBHC-LBTVDEKVSA-N
• Appearance: White powder
• Physical State: Solid

Custom Q&A

What is the PubChem CID for Quassin?

PubChem CID: 65571

What is the molecular formula of Quassin?

Molecular Formula: C22H28O6

What is the molecular weight of Quassin?

Molecular Weight: 388.5 g/mol

What is the IUPAC name of Quassin?

IUPAC Name: (1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0 2,7 .0 13,17 ]heptadeca-4,14-diene-3,11,16-trione

What are the synonyms of Quassin?

Synonyms: quassin, Quassine, 2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione

What is the InChI of Quassin?

InChI: InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1

What is the InChIKey of Quassin?

InChIKey: IOSXSVZRTUWBHC-LBTVDEKVSA-N

What is the canonical SMILES of Quassin?

Canonical SMILES: CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC

What is the CAS number of Quassin?

CAS: 76-78-8

What is the XLogP3-AA value of Quassin?

XLogP3-AA: 2.4