alpha-Amyrin palmitate
group of stereoisomers with the chemical formula C₄₆H₈₀O₂
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alpha-Amyrin palmitate
Summary
alpha-Amyrin palmitate is a group of stereoisomers[1].
Key Facts
- alpha-Amyrin palmitate's instance of is recorded as group of stereoisomers[2].
- alpha-Amyrin palmitate's CAS Registry Number is recorded as 22255-10-3[3].
- alpha-Amyrin palmitate's canonical SMILES is recorded as CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC23C)C1(C)C[4].
- alpha-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)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37?,38-,39+,41-,43-,44+,45-,46-/m1/s1[5].
- alpha-Amyrin palmitate's InChIKey is recorded as BHPGRVQWTLDDQX-MYFXNNOVSA-N[6].
- alpha-Amyrin palmitate's chemical formula is recorded as C₄₆H₈₀O₂[7].
- alpha-Amyrin palmitate's subclass of is recorded as [(3S,6aR,8aR,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate[8].
- alpha-Amyrin palmitate's PubChem CID is recorded as 185477[9].
- alpha-Amyrin palmitate's found in taxon is recorded as Barringtonia asiatica[10].
- alpha-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]4C@@HC@HCC[C@]4(C)CC[C@]23C)C1(C)CC@@HC@HCC[C@]4(C)CC[C@]23C)C1(C)C">[11].
- alpha-Amyrin palmitate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+664.6158318'}[12].
- alpha-Amyrin palmitate's SureChEMBL ID is recorded as 28833608[13].
- alpha-Amyrin palmitate's DSSTox substance ID is recorded as DTXSID00944910[14].
- alpha-Amyrin palmitate's DSSTOX compound identifier is recorded as DTXCID401373240[15].
- alpha-Amyrin palmitate's UniChem compound ID is recorded as 58055500[16].