| Name |
Pregnadienolone-3-O-beta-D-gracillimatriose |
| Formula |
C39H60O16 |
| Mw |
784.38813587 |
| CAS RN |
39941-68-9 |
| C_ID |
C00031081
, 
|
| InChIKey |
VZYCYPQHUZOSIT-XWQPJPBRNA-N |
| InChICode |
InChI=1S/C39H60O16/c1-16(42)21-7-8-22-20-6-5-18-13-19(9-11-38(18,3)23(20)10-12-39(21,22)4)51-37-34(55-35-31(48)29(46)26(43)17(2)50-35)33(28(45)25(15-41)53-37)54-36-32(49)30(47)27(44)24(14-40)52-36/h5,7,17,19-20,22-37,40-41,43-49H,6,8-15H2,1-4H3/t17-,19-,20-,22-,23-,24+,25+,26-,27+,28+,29+,30-,31+,32+,33-,34+,35-,36-,37+,38-,39+/m0/s1 |
| SMILES |
CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Dioscoreaceae | Dioscorea futschauensis  | Ref. |
| Plantae | Dioscoreaceae | Dioscorea panthaica | Ref. |
| Plantae | Dioscoreaceae | Dioscorea spongiosa | Ref. |
|
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