PHTHORAMYCIN

119313-46-1

MFCD01745482

C40 H68 O12

740.965

InChI=1S/C40H68O12/c1-8-29(41)19-31-25(3)13-17-39(51-31)21-32-27(5)33(52-39)22-40(48)28(18-24(2)23-49-40)12-10-9-11-15-37(6,46)34(43)20-30(42)26(4)36(45)38(7,47)16-14-35(44)50-32/h10,12,14,16,24-34,36,41-43,45-48H,8-9,11,13,15,17-23H2,1-7H3/b12-10+,16-14+/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,36-,37+,38+,39+,40-/m0/s1

InChIKey=BNVZCZJOQPRHLO-SMUQHDSOSA-N

CC[C@H](C[C@H]1[C@H](CC[C@]2(O1)C[C@H]3[C@@H]([C@@H](O2)C[C@]4([C@@H](C[C@@H](CO4)C)/C=C/CCC[C@@]([C@@H](C[C@@H]([C@H]([C@@H]([C@](/C=C/C(=O)O3)(C)O)O)C)O)O)(C)O)O)C)C)O

H bond donor:7

H bond acceptor:12

XLogP3:2.0

Bulk/Fine:F