6677-98-1
PROPIONIC ACID 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-DIHYDROXY-10,13-DIMETHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-2-OXO-ETHYL ESTER
NamePROPIONIC ACID 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-DIHYDROXY-10,13-DIMETHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-2-OXO-ETHYL ESTER
1Identification
【Name】
PROPIONIC ACID 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-DIHYDROXY-10,13-DIMETHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-2-OXO-ETHYL ESTER
【CAS】
【MDL】
MFCD11519469
【English Synonyms】
PROPIONIC ACID 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-DIHYDROXY-10,13-DIMETHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-2-OXO-ETHYL ESTER
【Formula】
C24 H34 O6
【MolWeight】
418.527
【Inchi】
InChI=1S/C24H34O6/c1-4-20(28)30-13-19(27)24(29)10-8-17-16-6-5-14-11-15(25)7-9-22(14,2)21(16)18(26)12-23(17,24)3/h11,16-18,21,26,29H,4-10,12-13H2,1-3H3/t16-,17-,18-,21+,22-,23-,24-/m0/s1
【InChIKey】
InChIKey=MRECAIZOMKKXOZ-RPPPWEFESA-N
【SMILES】
CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
【MOL File】
PROPIONIC ACID 2-((8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PROPIONIC ACID 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-DIHYDROXY-10,13-DIMETHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-2-OXO-ETHYL ESTER.cml