Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: (6r)-6-[(1r,3as,7ar)-4-[(2z)-2-[(3s,5r)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylheptan-2-ol
Molecular Formula
C39H74O3Si2
Molecular Weight
647.2  g/mol
InChI Key
IEBYGWUFYYXFGX-MZQWEKHDSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6R)-6-[(1R,3aS,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylheptan-2-ol
2.1.2 InChI
InChI=1S/C39H74O3Si2/c1-28(18-16-24-38(9,10)40)33-22-23-34-30(19-17-25-39(33,34)11)20-21-31-26-32(41-43(12,13)36(3,4)5)27-35(29(31)2)42-44(14,15)37(6,7)8/h21,28,30,32-35,40H,2,16-20,22-27H2,1,3-15H3/b31-21-/t28-,30?,32-,33-,34+,35+,39-/m1/s1
2.1.3 InChI Key
IEBYGWUFYYXFGX-MZQWEKHDSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. (6r)-6-[(1r,3as,7ar)-4-[(2z)-2-[(3s,5r)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylheptan-2-ol

2.3 Create Date
2014-03-07
3 Chemical and Physical Properties
Molecular Weight 647.2 g/mol
Molecular Formula C39H74O3Si2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area38.7
Heavy Atom Count44
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1