ZK 159222-d4

Product Specifications

Synonyms

1-[(1R,2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene] octahydro-7a-methyl-1H-inden-1-yl]-1-hydroxy-2-penten-1-yl]-cyclopropane-d4-carboxylic Acid Butyl Ester; 1-[(1α,3β,5Z,7E,22E,24R)-1,3,24-Trihydroxy-9,10-secochola-5,7,10(19),22-tetraen-24-yl]-cyclopropane-d4-carboxylic Acid Butyl Ester

Hazard Statement

No Data Available

Smiles

[2H]C1([2H])C([2H])([2H])C1([C@H](O)\C=C\[C@@H](C)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C)C(=O)OCCCC

Molecular Formula

C32 2H4 H44 O5

Molecular Weight

516.74

InChI

InChI=1S/C32H48O5/c1-5-6-18-37-30(36)32(16-17-32)29(35)14-9-21(2)26-12-13-27-23(8-7-15-31(26,27)4)10-11-24-19-25(33)20-28(34)22(24)3/h9-11,14,21,25-29,33-35H,3,5-8,12-13,15-20H2,1-2,4H3/b14-9+,23-10+,24-11-/t21-,25-,26-,27+,28+,29-,31-/m1/s1/i16D2,17D2

Additionnal Information

IUPAC name: butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxy-pent-2-enyl]-2,2,3,3-tetradeuterio-cyclopropanecarboxylate