(6E,22E)-(3R)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol

• CAS: 115-61-7
• Catalog Number: ACM115617
• Category: Other Products
• Molecular Weight: 396.64836
• Molecular Formula: C₂₈H₄₄O
• Synonyms: (6E,22E)-(3R)-9,10-secoergosta-5(10),6,8,22-tetraen-3-ol ;9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol, (3.beta.,6E,22E)-;TACHYSTEROL;(6E,22E)-9,10-Secoergosta-5(10),6,8,22-tetraen-3β-ol;(6E,22E)-9,10-Secoergosta-5(10),6,8,22-tetrene-3β-ol;Einecs 204-096-7

Custom Q&A

What is the molecular formula of the compound with PubChem CID 9547230?

The molecular formula is C28H44O.

What is the molecular weight of the compound?

The molecular weight is 396.6 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (1S)-3-[(E)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol.

What is the InChI of the compound?

The InChI is InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h8-10,12-13,19-20,22,25-27,29H,7,11,14-18H2,1-6H3/b10-9+,13-12+/t20-,22+,25-,26+,27-,28+/m0/s1.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 7.2.

What is the topological polar surface area of the compound?

The topological polar surface area is 20.2 Å2.

How many heavy atoms does the compound contain?

The compound contains 29 heavy atoms.

What is the formal charge of the compound?

The formal charge is 0.

How many defined atom stereocenter counts does the compound have?

The compound has 6 defined atom stereocenter counts.