Cycloprop[6,7]indeno[4,5-b]furan-2(3H)-one, 6-(acetyloxy)decahydro-7a-hydroxy-4a,7-dimethyl-3-methylene-
PubChem CID: 163048519
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| Compound Synonyms | Cycloprop[6,7]indeno[4,5-b]furan-2(3H)-one, 6-(acetyloxy)decahydro-7a-hydroxy-4a,7-dimethyl-3-methylene-, ((1S,2R,4R,5S,9R,10S,11S,12S)-10-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8-oxatetracyclo(8.3.0.02,4.05,9)tridecan-12-yl) acetate, [(1S,2R,4R,5S,9R,10S,11S,12S)-10-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8-oxatetracyclo[8.3.0.02,4.05,9]tridecan-12-yl] acetate, Cycloprop(6,7)indeno(4,5-b)furan-2(3H)-one, 6-(acetyloxy)decahydro-7a-hydroxy-4a,7-dimethyl-3-methylene-, DTXSID201111494 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 598.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | [(1S,2R,4R,5S,9R,10S,11S,12S)-10-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8-oxatetracyclo[8.3.0.02,4.05,9]tridecan-12-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C17H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UIDYHYYEAGPNQR-CPUVPTDQSA-N |
| Fcsp3 | 0.7647058823529411 |
| Logs | -3.136 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.711 |
| Compound Name | Cycloprop[6,7]indeno[4,5-b]furan-2(3H)-one, 6-(acetyloxy)decahydro-7a-hydroxy-4a,7-dimethyl-3-methylene- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 306.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 306.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8359196 |
| Inchi | InChI=1S/C17H22O5/c1-7-13-10-6-16(10,4)12-5-11(21-9(3)18)8(2)17(12,20)14(13)22-15(7)19/h8,10-14,20H,1,5-6H2,2-4H3/t8-,10+,11-,12-,13+,14+,16+,17+/m0/s1 |
| Smiles | C[C@H]1[C@H](C[C@@H]2[C@]1([C@H]3[C@@H]([C@@H]4[C@]2(C4)C)C(=C)C(=O)O3)O)OC(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glechoma Longituba (Plant) Rel Props:Source_db:cmaup_ingredients