Hirsutanol D
PubChem CID: 10704869
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| Compound Synonyms | Hirsutanol D, (3bR,6aS,7R,7aS)-7-hydroxy-3,5,5,7a-tetramethyl-1,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one, (3bR,6aS,7R,7aS)-7-hydroxy-3,5,5,7a-tetramethyl-1,3b,4,6,6a,7-hexahydrocyclopenta(a)pentalen-2-one, CHEBI:217218 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3bR,6aS,7R,7aS)-7-hydroxy-3,5,5,7a-tetramethyl-1,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MCUHUORHNRBSNW-JLBHGKSJSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.124 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.244 |
| Compound Name | Hirsutanol D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6348018 |
| Inchi | InChI=1S/C15H22O2/c1-8-11(16)7-15(4)12(8)9-5-14(2,3)6-10(9)13(15)17/h9-10,13,17H,5-7H2,1-4H3/t9-,10+,13-,15+/m1/s1 |
| Smiles | CC1=C2[C@@H]3CC(C[C@@H]3[C@H]([C@]2(CC1=O)C)O)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acca Sellowiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients