Cholesteryl-2-Coumarate
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Product Description
Product
Cholesteryl-2-Coumarate
CAS
99910-85-7
Formula
C36H52O3
Typical Product Specifications
SMILES
c1cc(\C=C\C(O[C@@H]2CC=3[C@](C)(CC2)[C@@H]2[C@@H](CC3)[C@H]3[C@@](CC2)([C@H](CC3)[C@@H](CCCC(C)C)C)C)=O)c(O)cc1
InChI
JPTUJXPTFCNGAF-FWFAPRHVSA-N
InChIKey
1S/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28+,29+,30-,31+,32+,35+,36-/m1/s1
Class
Cholesteryl-2-Coumarate
Product Description
Product
Cholesteryl-2-Coumarate
CAS
99910-85-7
Formula
C36H52O3
Typical Product Specifications
SMILES
c1cc(\C=C\C(O[C@@H]2CC=3[C@](C)(CC2)[C@@H]2[C@@H](CC3)[C@H]3[C@@](CC2)([C@H](CC3)[C@@H](CCCC(C)C)C)C)=O)c(O)cc1
InChI
JPTUJXPTFCNGAF-FWFAPRHVSA-N
InChIKey
1S/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28+,29+,30-,31+,32+,35+,36-/m1/s1
Class
