4BETA-HYDROXYWITHANOLIDE E

54334-04-2

MFCD01729182

C28 H38 O8

502.6

InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25+,26+,27+,28+/m0/s1

InChIKey=UPBUGICUKQIKTJ-MCWBMYHLSA-N

CC1=C(C(=O)O[C@H](C1)[C@](C)([C@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)O)O)C

氢键供体数量:4

氢键受体数量:8

XLogP3:0.0

Bulk/Fine:F