6-Acetyl-7-deacetylforskolin

• CAS: 64657-21-2
• Catalog Number: ACM64657212
• Category: Other Products
• Molecular Weight: 410.5
• Molecular Formula: C22H34O7
• Synonyms: 6β-Acetoxy-1α,7β,9α-trihydroxy-8,13-epoxy-labd-14-en-11-one
• IUPAC Name: [(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] acetate
• Canonical SMILES: CC(=O)O[C@@H]1[C@@H]([C@@]2([C@](C(=O)C[C@](O2)(C)C=C)([C@@]3(C1C(CC[C@@H]3O)(C)C)C)O)C)O
• InChI: InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(28-12(2)23)17(26)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16?,17-,19-,20-,21+,22-/m0/s1
• InChI Key: CLOQVZCSBYBUPB-VDCUXWMXSA-N
• Boiling Point: 524.5±50.0 °C
• Melting Point: 220-222 °C
• Density: 1.23±0.1 g/ml
• Appearance: Powder
• Hazard Statements: Xn
• pKa: 11.03±0.70
• Safety Description: 36

Custom Q&A

What is the molecular formula of 6-Acetyl-7-deacetylforskolin?

The molecular formula of 6-Acetyl-7-deacetylforskolin is C22H34O7.

How much is the molecular weight of 6-Acetyl-7-deacetylforskolin?

The molecular weight of 6-Acetyl-7-deacetylforskolin is 410.5 g/mol.

What are the synonyms of 6-Acetyl-7-deacetylforskolin?

Some synonyms of 6-Acetyl-7-deacetylforskolin include Isoforskolin, Coleonol B, and 64657-21-2.

When was the compound first created according to the reference?

The compound was first created on October 25, 2006.

What is the InChIKey of 6-Acetyl-7-deacetylforskolin?

The InChIKey of 6-Acetyl-7-deacetylforskolin is CLOQVZCSBYBUPB-VDCUXWMXSA-N.

What is the Canonical SMILES of 6-Acetyl-7-deacetylforskolin?

The Canonical SMILES of 6-Acetyl-7-deacetylforskolin is CC(=O)OC1C2C(CCC(C2(C3(C(=O)CC(OC3(C1O)C)(C)C=C)O)C)O)(C)C.

How many hydrogen bond donor counts does 6-Acetyl-7-deacetylforskolin have?

6-Acetyl-7-deacetylforskolin has 3 hydrogen bond donor counts.

What is the topological polar surface area of 6-Acetyl-7-deacetylforskolin?

The topological polar surface area of 6-Acetyl-7-deacetylforskolin is 113 Ų.

How many defined atom stereocenter counts does 6-Acetyl-7-deacetylforskolin have?

6-Acetyl-7-deacetylforskolin has 7 defined atom stereocenter counts.

What is the complexity value of 6-Acetyl-7-deacetylforskolin?

The complexity value of 6-Acetyl-7-deacetylforskolin is 747.