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193146-53-1 | (3S,6R,7S,8S,12Z,15S,16E)-3,7,15-TRIS-{[TERT-BUTYL(DIMETHYL)SILYL]OXY}-1-HYDROXY-4,4,6,8,12,16-HEXAMETHYL-17-(2-METHYL-1,3-THIAZOL-4-YL)HEPTADECA-12,16-DIEN-5-ONE
CAS No: 193146-53-1 Catalog No: AG00ADAM MDL No:
Product Description
Catalog Number:
AG00ADAM
Chemical Name:
(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-TRIS-{[TERT-BUTYL(DIMETHYL)SILYL]OXY}-1-HYDROXY-4,4,6,8,12,16-HEXAMETHYL-17-(2-METHYL-1,3-THIAZOL-4-YL)HEPTADECA-12,16-DIEN-5-ONE
CAS Number:
193146-53-1
IUPAC Name:
(3S,7S,8S,12Z,15S,16E)-3,7,15-tris[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)heptadeca-12,16-dien-5-one
InChI:
InChI=1S/C45H87NO5SSi3/c1-32(26-27-38(49-53(17,18)42(6,7)8)34(3)30-37-31-52-36(5)46-37)24-23-25-33(2)40(51-55(21,22)44(12,13)14)35(4)41(48)45(15,16)39(28-29-47)50-54(19,20)43(9,10)11/h26,30-31,33,35,38-40,47H,23-25,27-29H2,1-22H3/b32-26-,34-30+/t33-,35?,38-,39-,40-/m0/s1
InChI Key:
LOAKRBOMRITVRR-OSLNQJGMSA-N
Properties
Complexity:
1270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
2
Exact Mass:
837.561g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
838.508g/mol
Monoisotopic Mass:
837.561g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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