200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 119386-11-7
119386-11-7 | Stigmasta-5,7,22,25-tetraen-3-ol, (3β,22E)- (9CI)
CAS No: 119386-11-7 Catalog No: AG000IO6 MDL No:
Product Description
Catalog Number:
AG000IO6
Chemical Name:
Stigmasta-5,7,22,25-tetraen-3-ol, (3β,22E)- (9CI)
CAS Number:
119386-11-7
Molecular Formula:
C29H44O
Molecular Weight:
408.6591
IUPAC Name:
(3S,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,20-21,23,25-27,30H,2,7,12-18H2,1,3-6H3/b9-8+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1
InChI Key:
ZQGUFZGRZKDSPC-CIFIHVIMSA-N
SMILES:
CC[C@@H](C(=C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC=C2[C@]1(C)CC[C@@H](C2)O)C
Properties
Complexity:
769
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
1
Exact Mass:
408.339g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.67g/mol
Monoisotopic Mass:
408.339g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.