ACETIC ACID DI-ACO-DI-ME-(ME-DI-PH-BUT-ENYL)-CYCLOPENTA(A)PHENANTHREN-YL ESTER

51102-05-7

MFCD03938721

C42 H54 O6

654.883

InChI=1S/C42H54O6/c1-26(17-18-34(30-13-9-7-10-14-30)31-15-11-8-12-16-31)35-19-20-36-40-37(25-39(42(35,36)6)48-29(4)45)41(5)22-21-33(46-27(2)43)23-32(41)24-38(40)47-28(3)44/h7-16,18,26,32-33,35-40H,17,19-25H2,1-6H3/t26?,32?,33-,35?,36?,37?,38-,39+,40?,41?,42?/m1/s1

InChIKey=JRCUYUDFELCKIJ-ZINIJFALSA-N

CC(CC=C(c1ccccc1)c2ccccc2)C3CCC4C3([C@H](CC5C4[C@@H](CC6C5(CC[C@H](C6)OC(=O)C)C)OC(=O)C)OC(=O)C)C

H bond donor:0

H bond acceptor:6

XLogP3:9.0

Bulk/Fine:F