Vomifoliol

• CAS: 23526-45-6
• Catalog Number: ACM23526456
• Category: Other Products
• Molecular Weight: 224.3
• Molecular Formula: C13H20O3
• Synonyms: VOMIFOLIOL;(1S)-1-Hydroxy-1-[(1E,3R)-3-hydroxy-1-butenyl]-2,6,6-trimethyl-2-cyclohexene-4-one;(S)-4-Hydroxy-4-[(R,E)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-2-cyclohexen-1-one;Blumenol A;2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,5,5-triMethyl-, (4S)-
• IUPAC Name: (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
• Canonical SMILES: CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C
• InChI: InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
• InChI Key: KPQMCAKZRXOZLB-KOIHBYQTSA-N
• Appearance: Powder

Custom Q&A

What is the molecular formula of Vomifoliol?

The molecular formula of Vomifoliol is C13H20O3.

What is the molecular weight of Vomifoliol?

The molecular weight of Vomifoliol is 224.30 g/mol.

What is the IUPAC name of Vomifoliol?

The IUPAC name of Vomifoliol is (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one.

In which organisms is Vomifoliol found?

Vomifoliol is found in Sida acuta, Macrococculus pomiferus, and other organisms with available data.

What is the InChIKey of Vomifoliol?

The InChIKey of Vomifoliol is KPQMCAKZRXOZLB-KOIHBYQTSA-N.

What is the Canonical SMILES of Vomifoliol?

The Canonical SMILES of Vomifoliol is CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C.

How many hydrogen bond donor counts does Vomifoliol have?

Vomifoliol has 2 hydrogen bond donor counts.

What is the exact mass of Vomifoliol?

The exact mass of Vomifoliol is 224.14124450 g/mol.

How many rotatable bond counts does Vomifoliol have?

Vomifoliol has 2 rotatable bond counts.

What is the topological polar surface area of Vomifoliol?

The topological polar surface area of Vomifoliol is 57.5 Ų.