Name: Name:4-[2-[(1S,2R,4aS,7S,8aR)-4a-[(Acetyloxy)methyl]-1,2,3,4,4a,7,8,8a-octahydro-7-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-naphthalenyl]ethyl]-2(5H)-furanone
Brand: Angene
SKU: AG009GNC
Rating: 90 (10 reviews)

4-[2-[(1S,2R,4aS,7S,8aR)-4a-[(Acetyloxy)methyl]-1,2,3,4,4a,7,8,8a-octahydro-7-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-naphthalenyl]ethyl]-2(5H)-furanone

CAS No.:

125675-09-4

Catalog Number:

AG009GNC

Molecular Formula:

Molecular Weight:

Catalog Number:

AG009GNC

Chemical Name:

4-[2-[(1S,2R,4aS,7S,8aR)-4a-[(Acetyloxy)methyl]-1,2,3,4,4a,7,8,8a-octahydro-7-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-naphthalenyl]ethyl]-2(5H)-furanone

CAS Number:

125675-09-4

MDL Number:

MFCD22124998

IUPAC Name:

[(2S,4aS,7R,8S,8aR)-2-hydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl acetate

InChI:

InChI=1S/C22H32O6/c1-14-4-7-22(13-28-15(2)24)17(11-23)9-18(25)10-19(22)21(14,3)6-5-16-8-20(26)27-12-16/h8-9,14,18-19,23,25H,4-7,10-13H2,1-3H3/t14-,18-,19-,21+,22-/m1/s1

InChI Key:

XXSSNTKMBVTREV-DDHROXKOSA-N

Complexity:

695

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

392.22g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

392.492g/mol

Monoisotopic Mass:

392.22g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7