Description
Tetrahymanol acetate is a natural compound isolated from Bradyrhizobium japonicum.
Synonyms
Tetrahymanolacetate; Acetic acid 5alpha-gammaceran-3beta-yl ester; tetrahymanyl acetate; Gammaceran-3-ol, 3-acetate, (3β)-; Acetic acid (3S,6aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-docosahydro-picen-3-yl ester
IUPAC Name
[(3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-yl] acetate
Molecular Formula
C32H54O2
Canonical SMILES
CC(=O)OC1CCC2(C3CCC4C5(CCCC(C5CCC4(C3(CCC2C1(C)C)C)C)(C)C)C)C
InChI
InChI=1S/C32H54O2/c1-21(33)34-26-15-18-30(7)23(28(26,4)5)14-20-32(9)25(30)12-11-24-29(6)17-10-16-27(2,3)22(29)13-19-31(24,32)8/h22-26H,10-20H2,1-9H3/t22-,23-,24+,25+,26-,29-,30-,31+,32+/m0/s1
InChIKey
DPJNHLGIKPTUJC-ZLCFVSOESA-N
Solubility
Soluble in DMSO