CID 20054835
PubChem CID: 20054835
Connections displayed (default: 10).
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| Compound Synonyms | 71963-77-4, (5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromene |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (4S,5R,8S,9R,10S,12R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXYIRMFQILZOAM-TZJWZIBYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.651 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.134 |
| Compound Name | CID 20054835 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8478498 |
| Inchi | InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15?,16?/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3C24[C@H]1CCC(O3)(OO4)C)OC)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients