Simiarenol Acetate

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Catalog Number ACM4965995
CAS 4965-99-5
IUPAC Name [(3R,3aR,5aR,5bS,9S,11aS,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate
Molecular Weight 468.8
Molecular Formula C32H52O2
Canonical SMILES CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CC=C5C4CCC(C5(C)C)OC(=O)C)C)C)C)C
Inchi InChI=1S/C32H52O2/c1-20(2)22-10-13-25-29(22,6)16-18-32(9)26-14-11-23-24(30(26,7)17-19-31(25,32)8)12-15-27(28(23,4)5)34-21(3)33/h11,20,22,24-27H,10,12-19H2,1-9H3/t22-,24-,25-,26+,27+,29-,30+,31+,32-/m1/s1
InChIKey MBVFYSHTXNMYNB-BFIMAXGYSA-N
Purity 98%
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