| Name |
Gypsophilin |
| Formula |
C30H46O8S |
| Mw |
566.29133918 |
| CAS RN |
947150-87-0 |
| C_ID |
C00030449
, 
|
| InChIKey |
FLNIJRUUQKZNJJ-VDZHYZIANA-N |
| InChICode |
InChI=1S/C30H46O8S/c1-17(2)19-12-14-30(25(33)34)16-15-27(4)22(29(19,30)6)9-8-20-18-7-10-23(38-39(35,36)37)28(5,24(31)32)21(18)11-13-26(20,27)3/h18-23H,1,7-16H2,2-6H3,(H,31,32)(H,33,34)(H,35,36,37)/t18-,19+,20-,21-,22+,23+,26-,27-,28+,29+,30-/m1/s1 |
| SMILES |
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5CC[C@H](OS(=O)(=O)O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Gypsophila repens | Ref. |
|
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