| Name |
Simplexin H
(+)-Simplexin H |
| Formula |
C28H46O9 |
| Mw |
526.31418307 |
| CAS RN |
1154411-27-4 |
| C_ID |
C00047575
, 
|
| InChIKey |
YCZBRNLJJMJIRM-SNEFYNRHNA-N |
| InChICode |
InChI=1S/C28H46O9/c1-9-10-21(32)37-27(7)12-11-20(34-16(4)29)26(6,33)14-19-24-23(25(27)35-19)22(15(2)3)18(31)13-28(24,8)36-17(5)30/h15,18-20,22-25,31,33H,9-14H2,1-8H3/t18-,19-,20+,22+,23-,24-,25-,26+,27+,28-/m1/s1 |
| SMILES |
CCCC(=O)O[C@@]1(C)CC[C@H](OC(C)=O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)[C@H](O)C[C@@](C)(OC(C)=O)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Klyxum simplex | Ref. |
|
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