9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol

CAS

474-69-1

Catalog Number

ACM474691

Category

Other Products

Molecular Weight

396.64836

Molecular Formula

C₂₈H₄₄O

MSDS COA Spec Sheet

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Specification

Synonyms

9-beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol;Ergosta-5,7,22-trien-3-ol, (3.beta.,9.beta.,10.alpha.,22E)-;(9β,10α,22E)-Ergosta-5,7,22-trien-3β-ol;Einecs 207-487-0;(3beta,9beta,10alpha,22E)-Ergosta-5,7,22-trien-3-ol

Melting Point

118-120°C (ethanol )

Density

1.00±0.1 g/cm³ (20 ºC 760 Torr)

What is the molecular formula of 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol?

The molecular formula is C28H44O.

What is the molecular weight of 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol?

The molecular weight is 396.6 g/mol.

What is the IUPAC name of 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol?

The IUPAC name is (3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the InChI of 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol?

The InChI is InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26+,27+,28+/m0/s1.

What is the CAS number of 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol?

The CAS number is 474-69-1.

What is the UNII number of 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol?

The UNII number is 170D11Q82N.

What is the KEGG ID of 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol?

The KEGG ID is C19653.

What is the XLogP3-AA value of 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol?

The XLogP3-AA value is 7.4.

How many hydrogen bond donor counts does 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol have?

It has 1 hydrogen bond donor count.

How many rotatable bond counts does 9-Beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol have?

It has 4 rotatable bond counts.