beta-Amyrin palmitate
group of stereoisomers with the chemical formula C₄₆H₈₀O₂
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beta-Amyrin palmitate
Summary
beta-Amyrin palmitate is a group of stereoisomers[1].
Key Facts
- beta-Amyrin palmitate's instance of is recorded as group of stereoisomers[2].
- beta-Amyrin palmitate's CAS Registry Number is recorded as 5973-06-8[3].
- beta-Amyrin palmitate's canonical SMILES is recorded as CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C[4].
- beta-Amyrin palmitate's InChI is recorded as InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37?,38-,39+,43-,44+,45-,46-/m1/s1[5].
- beta-Amyrin palmitate's InChIKey is recorded as VFSRKCNYYCXRGI-LAZBMHKSSA-N[6].
- beta-Amyrin palmitate's chemical formula is recorded as C₄₆H₈₀O₂[7].
- beta-Amyrin palmitate's subclass of is recorded as (3S,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl hexadecanoate[8].
- beta-Amyrin palmitate's PubChem CID is recorded as 165382[9].
- beta-Amyrin palmitate's found in taxon is recorded as Barringtonia asiatica[10].
- beta-Amyrin palmitate's isomeric SMILES is recorded as CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C[11].
- beta-Amyrin palmitate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+664.6158318'}[12].
- beta-Amyrin palmitate's SureChEMBL ID is recorded as 31054005[13].
- beta-Amyrin palmitate's DSSTox substance ID is recorded as DTXSID60975144[14].
- beta-Amyrin palmitate's DSSTOX compound identifier is recorded as DTXCID301402553[15].
- beta-Amyrin palmitate's UniChem compound ID is recorded as 60022056[16].