Name |
Pregnadienolone-3-O-beta-D-chacotrioside |
Formula |
C39H60O15 |
Mw |
768.39322125 |
CAS RN |
50773-43-8 |
C_ID |
C00031080
,
|
InChIKey |
OTJIOMRYLVVIJV-ZFMLUSJGNA-N |
InChICode |
InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39?/m0/s1 |
SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC=C1C(=O)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O |
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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