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CAS 140710-98-1

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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

CAS 140710-98-1

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 Formula	C₃₉H₇₄O₃Si₂
Molecular Weight	647.2 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	13
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	38.7
Heavy Atom Count	44
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS 140710-98-1

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