Phenesterin
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Product Description
Product
Phenesterin
CAS
3546-10-9
Formula
C39H59Cl2NO2
Synonym
Fenesterin.; Fenestrin; NCI-C01558; NSC-104469; phenesterine; Phenestrin
Typical Product Specifications
Molecular weight
644.81
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)C)C
InChI
SPJCRMJCFSJKDE-ZWBUGVOYSA-N
InChIKey
1S/C39H59Cl2NO2/c1-27(2)7-6-8-28(3)34-15-16-35-33-14-11-30-26-32(17-19-38(30,4)36(33)18-20-39(34,35)5)44-37(43)25-29-9-12-31(13-10-29)42(23-21-40)24-22-41/h9-13,27-28,32-36H,6-8,14-26H2,1-5H3/t28-,32+,33+,34-,35+,36+,38+,39-/m1/s1
log P (octanol-water)
13.12
Atmospheric OH Rate Constant
2.82E-10 cm3/molecule-sec
Melting Point
90 ° C
Class
Phenesterin
Product Description
Product
Phenesterin
CAS
3546-10-9
Formula
C39H59Cl2NO2
Synonym
Fenesterin.; Fenestrin; NCI-C01558; NSC-104469; phenesterine; Phenestrin
Typical Product Specifications
Molecular weight
644.81
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)C)C
InChI
SPJCRMJCFSJKDE-ZWBUGVOYSA-N
InChIKey
1S/C39H59Cl2NO2/c1-27(2)7-6-8-28(3)34-15-16-35-33-14-11-30-26-32(17-19-38(30,4)36(33)18-20-39(34,35)5)44-37(43)25-29-9-12-31(13-10-29)42(23-21-40)24-22-41/h9-13,27-28,32-36H,6-8,14-26H2,1-5H3/t28-,32+,33+,34-,35+,36+,38+,39-/m1/s1
log P (octanol-water)
13.12
Atmospheric OH Rate Constant
2.82E-10 cm3/molecule-sec
Melting Point
90 ° C
Class
