| Name |
Gypsoside |
| Formula |
C80H126O44 |
| Mw |
1790.7621974 |
| CAS RN |
15588-68-8 |
| C_ID |
C00039322
, 
|
| InChIKey |
LAHSXXNOJMWHBH-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C80H126O44/c1-27-40(88)58(118-65-48(96)41(89)31(84)22-107-65)54(102)70(111-27)116-56-28(2)112-73(61(53(56)101)121-72-60(44(92)34(87)25-110-72)120-67-50(98)43(91)33(86)24-109-67)124-74(106)80-17-15-75(3,4)19-30(80)29-9-10-38-76(5)13-12-39(77(6,26-83)37(76)11-14-79(38,8)78(29,7)16-18-80)115-71-55(103)59(119-66-49(97)42(90)32(85)23-108-66)62(63(123-71)64(104)105)122-69-52(100)47(95)57(36(21-82)114-69)117-68-51(99)46(94)45(93)35(20-81)113-68/h9,26-28,30-63,65-73,81-82,84-103H,10-25H2,1-8H3,(H,104,105)/t27-,28-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43-,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,54+,55-,56+,57-,58+,59-,60-,61-,62-,63-,65+,66+,67-,68-,69+,70-,71+,72-,73+,76-,77+,78+,79-,80-/m1/s1 |
| SMILES |
C1[C@@H]([C@]([C@@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@@]2(C(=CC1)[C@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O)O[C@H]1OC[C@H]([C@H]([C@H]1O[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)O)O)C)C)C)(C=O)C)O[C@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Gypsophila pacifica | Ref. |
| Plantae | Caryophyllaceae | Gypsophila paniculata  | Ref. |
| - | - | Glypsophila pacifica | Ref. |
|
|
zoom in
| Organism | Gypsophila paniculata |
|---|
| Reference | Kochetkov,Tetrahedron Lett.,(1963),477 |
|---|
|
