(-)-11,13-Dehydroeriolin
PubChem CID: 13817982
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| Compound Synonyms | (-)-11,13-Dehydroeriolin, (1R,3R,5R,8R,10R,12S)-5,10-dimethyl-15-methylidene-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one, 11(13)-Dehydroivaxillin, NSC 374720, CHEMBL3623293, HY-N1012, AKOS040762564, CS-0016248 |
|---|---|
| Topological Polar Surface Area | 51.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,3R,5R,8R,10R,12S)-5,10-dimethyl-15-methylidene-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SSZZFAJCDFWCJW-JCJKHTMNSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.124 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.111 |
| Compound Name | (-)-11,13-Dehydroeriolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5497902 |
| Inchi | InChI=1S/C15H20O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10+,11-,12-,14-,15-/m1/s1 |
| Smiles | C[C@@]12CC[C@@H]3[C@](O3)(C[C@H]4[C@H](C[C@H]1O2)C(=C)C(=O)O4)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carpesium Abrotanoides (Plant) Rel Props:Source_db:cmaup_ingredients