(3S,3'S,4S,4'S,6'S)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,6'-bibenzo[g]isochromene-4,4'-diyl diacetate

Properties Image MNX_ID MNXM101060 reference chebi:67968 formula C36H38O12 global charge 0 mol weight 662.688 InChIKey JCDFFJNDAXRABU-DZEHZSJLSA-N InChI InChI=1S/C36H38O12/c1-15-35(47-17(3)37)20-11-22-28(26(43-7)12-27(44-8)30(22)33(39)23(20)13-45-15)31-21-9-19(41-5)10-25(42-6)29(21)34(40)24-14-46-16(2)36(32(24)31)48-18(4)38/h9-12,15-16,35-36,39-40H,13-14H2,1-8H3/t15-,16-,35+,36+/m0/s1 SMILES COC1=CC2=C(C3=C(OC)C=C(OC)C4=C(O)C5=C(C=C43)[C@H](OC(C)=O)[C@H](C)OC5)C3=C(CO[C@@H](C)[C@H]3OC(C)=O)C(O)=C2C(OC)=C1 MNX internals InChI (mnx) InChI=1/C36H38O12/c1-15-35(47-17(3)37)20-11-22-28(26(43-7)12-27(44-8)30(22)33(39)23(20)13-45-15)31-21-9-19(41-5)10-25(42-6)29(21)34(40)24-14-46-16(2)36(32(24)31)48-18(4)38/h9-12,15-16,35-36,39-40H,13-14H2,1-8H3/t15-,16-,35+,36+/m0/s1 SMILES (mnx) [CH3:1][C@H:15]1[C@@H:35]([O:47][C:17]([CH3:3])=[O:37])[C:20]2=[CH:11][C:22]3=[C:28]([C:31]4=[C:32]5[C:24](=[C:34]([OH:40])[C:29]6=[C:21]4[CH:9]=[C:19]([O:41][CH3:5])[CH:10]=[C:25]6[O:42][CH3:6])[CH2:14][O:46][C@@H:16]([CH3:2])[C@H:36]5[O:48][C:18]([CH3:4])=[O:38])[C:26]([O:43][CH3:7])=[CH:12][C:27]([O:44][CH3:8])=[C:30]3[C:33]([OH:39])=[C:23]2[CH2:13][O:45]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0