200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116965-72-1
116965-72-1 | β-L-lyxo-Hexopyranoside, (3β,14β)-14,20-dihydroxypregn-5-en-3-yl 2,6-dideoxy- (9CI)
CAS No: 116965-72-1 Catalog No: AG000DFY MDL No:
Product Description
Catalog Number:
AG000DFY
Chemical Name:
β-L-lyxo-Hexopyranoside, (3β,14β)-14,20-dihydroxypregn-5-en-3-yl 2,6-dideoxy- (9CI)
CAS Number:
116965-72-1
Molecular Formula:
C27H44O6
Molecular Weight:
464.6347
IUPAC Name:
(2S,3S,4R,6R)-6-[[(10R,13R,14S,17S)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol
InChI:
InChI=1S/C27H44O6/c1-15(28)19-9-12-27(31)21-6-5-17-13-18(33-23-14-22(29)24(30)16(2)32-23)7-10-25(17,3)20(21)8-11-26(19,27)4/h5,15-16,18-24,28-31H,6-14H2,1-4H3/t15?,16-,18?,19+,20?,21?,22+,23-,24+,25-,26+,27-/m0/s1
InChI Key:
OONXNTUZEDPBLV-NBEUKELOSA-N
SMILES:
CC([C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O)O)O
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
464.314g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
464.643g/mol
Monoisotopic Mass:
464.314g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.