Sucutinirane C
PubChem CID: 44139493
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| Compound Synonyms | Sucutinirane C, ((4aS,5S,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho(2,1-f)(1)benzofuran-5-yl) acetate, [(4aS,5S,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate, CHEMBL564471, 1134318-84-5 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | WITNZPLCRJEDQU-JAXLGGSGSA-N |
| Fcsp3 | 0.5909090909090909 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Compound Name | Sucutinirane C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.204 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 541.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 340.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(4aS,5S,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -5.940870600000001 |
| Inchi | InChI=1S/C22H28O3/c1-13-15-7-10-24-18(15)12-17-16(13)11-19(25-14(2)23)20-21(3,4)8-6-9-22(17,20)5/h7,10,12,19-20H,6,8-9,11H2,1-5H3/t19-,20-,22+/m0/s1 |
| Smiles | CC1=C2C[C@@H]([C@@H]3[C@@](C2=CC4=C1C=CO4)(CCCC3(C)C)C)OC(=O)C |
| Xlogp | 6.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H28O3 |
- 1. Outgoing r'ship
FOUND_INto/from Bowdichia Nitida (Plant) Rel Props:Source_db:cmaup_ingredients