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.
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