| Name |
Rugosin D |
| Formula |
C82H58O52 |
| Mw |
1874.18941221 |
| CAS RN |
84754-11-0 |
| C_ID |
C00002937
, 
|
| InChIKey |
LELFYNPFJFAEND-IXRALZRNNA-N |
| InChICode |
InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(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)17-123-77(118)26-15-42(58(106)62(110)48(26)47-25(79(120)127-65)13-40(95)56(104)61(47)109)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)66-44(126-82)16-122-76(117)23-11-38(93)54(102)59(107)45(23)46-24(78(119)128-66)12-39(94)55(103)60(46)108/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65-,66-,67+,68+,69+,70-,81+,82+/m1/s1 |
| SMILES |
[C@H]12[C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)c1cc(c(c(c1c1c(c(c(cc1C(=O)O2)O)O)O)O)O)O)OC(=O)c1c(c(c(c(c1)O)O)O)Oc1cc2C(=O)OC[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3c(c2c(c1O)O)c(c(c(c3)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Coriariaceae | Coriaria japonica  | Ref. |
| Plantae | Lythraceae | Trapa bispinosa | Ref. |
| Plantae | Rosaceae | Filipendula ulmaria | Ref. |
| Plantae | Rosaceae | Rosa cymosa | Ref. |
| Plantae | Rosaceae | Rosa rugosa | Ref. |
|
|
zoom in
|
