| Name |
Triscutin A |
| Formula |
C90H122O12 |
| Mw |
1394.89362936 |
| CAS RN |
247017-66-9 |
| C_ID |
C00049541
, 
|
| InChIKey |
NIBOCNNJGZLFIB-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C90H122O12/c1-50-52-22-24-59-80(9,35-41-85(14)61-47-77(6,71(92)96-19)29-26-74(61,3)32-38-83(59,85)12)54(52)44-57-66(50)100-68-65-51(2)67-58(45-56(65)82(11)37-43-87(16)63-49-79(8,73(94)98-21)31-28-76(63,5)34-40-88(87,17)70(82)69(68)99-57)101-89(18)53-23-25-60-81(10,55(53)46-64(91)90(89,95)102-67)36-42-86(15)62-48-78(7,72(93)97-20)30-27-75(62,4)33-39-84(60,86)13/h23,25,44-46,59,61-63,68-70,95H,22,24,26-43,47-49H2,1-21H3/t59-,61+,62-,63+,68-,69-,70+,74-,75-,76+,77-,78+,79+,80+,81-,82+,83+,84-,85-,86+,87+,88+,89+,90-/m0/s1 |
| SMILES |
[C@@H]12[C@@H]([C@@H]3[C@@](c4c1c(c1c(c4)O[C@]4([C@@](O1)(C(=O)C=C1C4=CC=C4[C@]1(CC[C@]1([C@]4(CC[C@]4([C@@H]1C[C@](CC4)(C)C(=O)OC)C)C)C)C)O)C)C)(CC[C@]1([C@@]3(CC[C@@]3([C@H]1C[C@@](CC3)(C(=O)OC)C)C)C)C)C)Oc1c(O2)c(c2c(c1)[C@@]1([C@H](CC2)[C@@]2([C@@](CC1)([C@H]1[C@](CC2)(CC[C@](C1)(C)C(=O)OC)C)C)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Maytenus scutioides  | Ref. |
|
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