1,1,4a-Trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
PubChem CID: 432946
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| Compound Synonyms | HINOKIOL, 564-73-8, 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol, (+)-Hinokiol, DTXSID60971843, ODFCWXVQZAQDSO-UHFFFAOYSA-N, Podocarpa-8,11,13-triene-3.beta.,12-diol, 13-isopropyl-, AAA56473, NSC319628, AKOS032948159, NSC-319628, Abieta-8,11,13-triene-3,12-diol #, Abieta-8(14),9(11),12-triene-3,12-diol, Podocarpa-8,13-triene-3.beta.,12-diol, 13-isopropyl-, 2, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-, 2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, [2S-(2.alpha.,4a.alpha.,10a.beta.)]- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 416.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.2 |
| Molecular Formula | C20H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODFCWXVQZAQDSO-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -4.245 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.242 |
| Compound Name | 1,1,4a-Trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 302.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.114457781818182 |
| Inchi | InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3 |
| Smiles | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCC(C3(C)C)O)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all