puupehenone
(4aS,6aS,12aR,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthen-9-one
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.4 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 73573-17-8 |
|---|---|
| SMILES | CC1(CCCC2(C1CCC3(C2C=C4C=C(C(=O)C=C4O3)O)C)C)C |
| InChIKey | LOCMLXSTDCXZFJ-YHELAOLJSA-N |
📖 Product Overview
puupehenone (CAS: 73573-17-8) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.4 g/mol. Its IUPAC systematic name is (4aS,6aS,12aR,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthen-9-one.
LOCMLXSTDCXZFJ-YHELAOLJSA-N.
SMILES: CC1(CCCC2(C1CCC3(C2C=C4C=C(C(=O)C=C4O3)O)C)C)C.
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