| Name |
Isorugosin D |
| Formula |
C82H58O52 |
| Mw |
1874.18941221 |
| CAS RN |
95457-27-5 |
| C_ID |
C00035330
, 
|
| InChIKey |
QFXITXVOJCXDCJ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-66-43(125-81(133-75(116)22-9-36(91)53(101)37(92)10-22)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)16-122-77(118)24-12-39(94)55(103)60(108)46(24)48-26(79(120)128-66)15-42(58(106)62(48)110)124-64-27(14-41(96)57(105)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)65-44(126-82)17-123-76(117)23-11-38(93)54(102)59(107)45(23)47-25(78(119)127-65)13-40(95)56(104)61(47)109/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65+,66+,67-,68+,69-,70+,81-,82+/m0/s1 |
| SMILES |
Oc1cc(cc(c1O)O)C(=O)O[C@@H]1O[C@@H]2[C@H]([C@@H]([C@@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c3c(C(=O)OC2)cc(c(c3O)O)O)c(c(c(c1)Oc1c(O)c(c(cc1C(=O)O[C@H]1O[C@@H]2[C@H]([C@H]([C@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c3c(C(=O)OC2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Hamamelidaceae | Liquidambar formosana  | Ref. |
|
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