Name: 2-Picenecarboxylic acid
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HIT ID:HIT103761158
Cas No:118172-80-8
Common Name:2-Picenecarboxylic acid
IUPAC:(2R,4aS,6aS,12bR,14aS,14bR)-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
IUPAC:(2R,4aS,6aS,12bR,14aS,14bR)-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
InChIKey:MEUCDRGPRSOAHE-BRUCSKOJSA-N

Molecular Formula:C28H36O5
Molecular Weight:452.591
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:5.605
SMILES:C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC(=O)c4cc(O)c(O)cc34)[C@@]1(C)CC2)C(O)=O |c:15|
SMILES:C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC(=O)c4cc(O)c(O)cc34)[C@@]1(C)CC2)C(O)=O |c:15|

2-Picenecarboxylic acid is a natural product for research related to life sciences. The catalog number is TN2793 and the CAS number is 118172-80-8.

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