3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
(3aS,4S,7aS)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Also Known As: 6'-Hydroxy Secophenol|DHSA|3,4-DHSA|6/'-Hydroxy Secophenol|3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione|c1122|3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione|J2.055.970E|(3aS,4S,7aS)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione|4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methylhexahydro-1H-indene-1,5(4H)-dione|(3aS,4S,7aS)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-octahydro-1H-indene-1,5-dione|SDT
| Molecular Formula | C19H24O4 |
|---|---|
| Molecular Weight | 316.16745 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.16745 |
| Monoisotopic Mass | 316.16745 |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 2168-61-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)O)O)CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C |
| InChIKey | YUHVBHDSVLKFNI-NJSLBKSFSA-N |
Product Overview
3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione (CAS 2168-61-8), with molecular formula C19H24O4 and molecular weight 316.16745 g/mol. IUPAC: (3aS,4S,7aS)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione.
3,4-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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