54113-95-0
15-HYDROXYDEHYDROABIETIC ACID
Name
15-HYDROXYDEHYDROABIETIC ACID
Formula
C20 H28 O3
MolWeight
316.438
1Identification
【Name】
15-HYDROXYDEHYDROABIETIC ACID
【CAS】
【MDL】
MFCD17214821
【English Synonyms】
【Formula】
C20 H28 O3
【MolWeight】
316.438
【Inchi】
InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1
【InChIKey】
InChIKey=ILQLITDRYFHAGM-NSISKUIASA-N
【SMILES】
C[C@]12CCC[C@@]([C@@H]1CCc3c2ccc(c3)C(C)(C)O)(C)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
15-HYDROXYDEHYDROABIETIC ACID.cml
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