RORITOXIN B

102852-49-3

MFCD01675264

C29 H34 O11

558.577

InChI=1S/C29H34O11/c1-15-6-8-26-13-34-23(33)21-28(40-21)9-10-35-27(20(31)22(32)39-24(27)28)7-4-3-5-19(30)38-16-12-18(37-17(26)11-15)29(14-36-29)25(16,26)2/h3-5,7,11,16-18,20-22,24,31-32H,6,8-10,12-14H2,1-2H3/b5-3-,7-4+/t16-,17-,18-,20+,21?,22-,24+,25-,26-,27-,28?,29-/m1/s1

InChIKey=WWNGAYLSKFTSBS-KXFLRGAGSA-N

CC1=C[C@@H]2[C@@]3(CC1)COC(=O)C4C5(O4)CCO[C@]6([C@@H]5O[C@H]([C@@H]6O)O)/C=C/C=C\C(=O)O[C@H]7[C@]3([C@@]8(CO8)[C@@H](C7)O2)C

H bond donor:2

H bond acceptor:11

XLogP3:-1.0

Bulk/Fine:F