AC1Q5VNO
2-[6-(carboxymethyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid
Also Known As: 2,2'-(3a,6-dimethyl-3-oxododecahydro-1h-cyclopenta[a]naphthalene-6,7-diyl)diacetic acid|17-Oxo-2,3-seco-5-androstan-2,3-dioic acid|2,3-Seco-5-androstan-17-one-2,3-dicarboxylic acid|2-[6-(carboxymethyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid|2,3-SECO-5A-ANDROSTANE-17-ONE-2,3-DIOIC ACID|2-[7-(Carboxymethyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrobenzo[g]inden-6-yl]acetic acid
| Molecular Formula | C19H28O5 |
|---|---|
| Molecular Weight | 336.19366 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.19366 |
| Monoisotopic Mass | 336.19366 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 116807-23-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC(C3(C)CC(=O)O)CC(=O)O |
| InChIKey | CEUQHWSIXGFNGI-UHFFFAOYSA-N |
Product Overview
AC1Q5VNO (CAS 116807-23-9), with molecular formula C19H28O5 and molecular weight 336.19366 g/mol. IUPAC: 2-[6-(carboxymethyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid.