200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 137767-50-1
137767-50-1 | Pregnane-3,7,17,20-tetrol, (3β,5α,7α,20R)- (9CI)
CAS No: 137767-50-1 Catalog No: AG0013TA MDL No:
Product Description
Catalog Number:
AG0013TA
Chemical Name:
Pregnane-3,7,17,20-tetrol, (3β,5α,7α,20R)- (9CI)
CAS Number:
137767-50-1
Molecular Formula:
C21H36O4
Molecular Weight:
352.5081
IUPAC Name:
(3S,5R,7R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,7,17-triol
InChI:
InChI=1S/C21H36O4/c1-12(22)21(25)9-6-16-18-15(5-8-20(16,21)3)19(2)7-4-14(23)10-13(19)11-17(18)24/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,17-,18-,19+,20+,21+/m1/s1
InChI Key:
QOZQGNJODHSBJX-ZFOKFBPFSA-N
SMILES:
O[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)[C@H](O)C)C)O)C
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
352.261g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
352.515g/mol
Monoisotopic Mass:
352.261g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.