(1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa(e)azulene-4,7-diol
PubChem CID: 178322
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| Compound Synonyms | 136458-41-8, (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa(e)azulene-4,7-diol, (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol, (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa(h)azulene-4,7-diol, 1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol, DTXSID30929437 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWNPMJOWAWGIMM-CLMGUBIUSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.907 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.889 |
| Compound Name | (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa(e)azulene-4,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7858001999999997 |
| Inchi | InChI=1S/C15H26O2/c1-13(2)9-5-7-14(3,16)10-6-8-15(4,17)12(10)11(9)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11-,12-,14+,15-/m1/s1 |
| Smiles | C[C@@]1(CC[C@@H]2[C@@H](C2(C)C)[C@H]3[C@@H]1CC[C@@]3(C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients