200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 121714-76-9
121714-76-9 | Stigmasta-5,8,22-trien-7-one, 3-hydroxy-, (3β,22E,24ξ)- (9CI)
CAS No: 121714-76-9 Catalog No: AG0015MW MDL No:
Product Description
Catalog Number:
AG0015MW
Chemical Name:
Stigmasta-5,8,22-trien-7-one, 3-hydroxy-, (3β,22E,24ξ)- (9CI)
CAS Number:
121714-76-9
Molecular Formula:
C29H44O2
Molecular Weight:
424.6585
IUPAC Name:
(3S,10S,13R,14R,17R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
InChI:
InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-24,30H,7,10-16H2,1-6H3/b9-8+/t19-,20?,22+,23-,24+,28+,29-/m1/s1
InChI Key:
FETRPHZWIWWTGP-VNEUGNJMSA-N
SMILES:
CCC(C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC1=C2C(=O)C=C2[C@]1(C)CC[C@@H](C2)O)C
Properties
Complexity:
815
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
424.334g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.669g/mol
Monoisotopic Mass:
424.334g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.