| Name |
Methylprotodioscin
22-O-Methylprotodioscin
Methyl protodioscin
(-)-Methylprotodioscin
Smilax saponin B
Protodioscin 22-methyl ether |
| Formula |
C52H86O22 |
| Mw |
1062.56107443 |
| CAS RN |
54522-52-0 |
| C_ID |
C00030764
, 
|
| InChIKey |
HSSJYSJXBOCKQM-RQJODKLUNA-N |
| InChICode |
InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@](O2)(CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)OC)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asparagaceae | Asparagus officinalis  | Ref. |
| Plantae | Dioscoreaceae | Dioscorea bulbifera var.sativa | Ref. |
| Plantae | Dioscoreaceae | Dioscorea collettii var.hypoglauca | Ref. |
| Plantae | Dioscoreaceae | Dioscorea futschauensis | Ref. |
| Plantae | Dioscoreaceae | Dioscorea pseudojaponica | Ref. |
| Plantae | Dioscoreaceae | Dioscorea rotundata | Ref. |
| Plantae | Dioscoreaceae | Dioscorea spongiosa | Ref. |
| Plantae | Dioscoreaceae | Dioscorea villosa | Ref. |
| Plantae | Dracaenaceae | Dracaena draco | Ref. |
| Plantae | Fabaceae | Trigonella caerulea | Ref. |
| Plantae | Palmae | Borassus flabellifer | Ref. |
| Plantae | Smilacaceae | Smilax china | Ref. |
| Plantae | Solanaceae | Solanum indicum | Ref. |
| Plantae | Solanaceae | Solanum tuberosum | Ref. |
| Plantae | Trilliaceae | Trillium erectum | Ref. |
|
|
zoom in
| Organism | Dioscorea bulbifera var.sativa |
|---|
| Reference | Sautour,J.Nat.Prod.,61,(2007),91 |
|---|
|
