200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 102607-76-1
102607-76-1 | Ergosta-5,24(28),25-trien-3-ol, (3β)- (9CI)
CAS No: 102607-76-1 Catalog No: AG0007WI MDL No:
Product Description
Catalog Number:
AG0007WI
Chemical Name:
Ergosta-5,24(28),25-trien-3-ol, (3β)- (9CI)
CAS Number:
102607-76-1
Molecular Formula:
C28H44O
Molecular Weight:
396.6484
IUPAC Name:
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidenehept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
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/h9,20,22-26,29H,1,3,7-8,10-17H2,2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChI Key:
ALRMOHDSPKRMGT-PXBBAZSNSA-N
SMILES:
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC(=C)C(=C)C)C)C)C1)C
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
396.339g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.659g/mol
Monoisotopic Mass:
396.339g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.