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193146-63-3 | (3S,6R,7S,8S,12Z,15S,16E)-3,7,15-TRIS-{[TERT-BUTYL(DIMETHYL)SILYL]OXY}-4,4,6,8,12,16-HEXAMETHYL-17-(2-METHYL-1,3-THIAZOL-4-YL)-5-OXO-HEPTADECA-12,16-DIENOIC ACID
CAS No: 193146-63-3 Catalog No: AG00ADLX MDL No:
Product Description
Catalog Number:
AG00ADLX
Chemical Name:
(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-TRIS-{[TERT-BUTYL(DIMETHYL)SILYL]OXY}-4,4,6,8,12,16-HEXAMETHYL-17-(2-METHYL-1,3-THIAZOL-4-YL)-5-OXO-HEPTADECA-12,16-DIENOIC ACID
CAS Number:
193146-63-3
IUPAC Name:
(3S,7S,8S,12Z,15S,16E)-3,7,15-tris[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadeca-12,16-dienoic acid
InChI:
InChI=1S/C45H85NO6SSi3/c1-31(26-27-37(50-54(17,18)42(6,7)8)33(3)28-36-30-53-35(5)46-36)24-23-25-32(2)40(52-56(21,22)44(12,13)14)34(4)41(49)45(15,16)38(29-39(47)48)51-55(19,20)43(9,10)11/h26,28,30,32,34,37-38,40H,23-25,27,29H2,1-22H3,(H,47,48)/b31-26-,33-28+/t32-,34?,37-,38-,40-/m0/s1
InChI Key:
GWEYNQSYTRXNRT-PKRZIIFVSA-N
Properties
Complexity:
1350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
2
Exact Mass:
851.541g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
852.491g/mol
Monoisotopic Mass:
851.541g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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