200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 138777-11-4
138777-11-4 | Ergost-24(28)-en-6-one, 1,3,5-trihydroxy-, (1α,3β,5α)- (9CI)
CAS No: 138777-11-4 Catalog No: AG0019JR MDL No:
Product Description
Catalog Number:
AG0019JR
Chemical Name:
Ergost-24(28)-en-6-one, 1,3,5-trihydroxy-, (1α,3β,5α)- (9CI)
CAS Number:
138777-11-4
Molecular Formula:
C28H46O4
Molecular Weight:
446.6624
IUPAC Name:
(8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
InChI:
InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19?,20+,21-,22+,23+,24?,26-,27+,28?/m1/s1
InChI Key:
RQXFIFSIGRFXOD-UDSYFKESSA-N
SMILES:
O[C@H]1C[C@H](O)[C@]2([C@@](C1)(O)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=C)C(C)C)C)C)C
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
446.34g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
446.672g/mol
Monoisotopic Mass:
446.34g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| 1alpha,3beta,5beta-trihydroxy-24-methylenecholestan-6-one: a novel steroid from a soft coral Sinularia gibberosa. | Steroids 20030401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.