[5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[3,4,6-triacetyloxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ethanoate

Systemtic Name: [5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[3,4,6-triacetyloxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ethanoate Openeye Name: [1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-[3,4,6-triacetoxy-2-(hydroxymethyl)tetrahydropyran-4-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate CAS Name: acetic acid [5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-9-[3,4,6-triacetyloxy-2-(hydroxymethyl)-4-oxanyl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ester IUPAC Name: [5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[3,4,6-triacetyloxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate Traditional Name: acetic acid [1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-(3,4,6-triacetoxy-2-methylol-tetrahydropyran-4-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ester Formula: C44H68O10 MolecularWeight: 757.00472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C6(CC(OC(C6OC(=O)C)CO)OC(=O)C)OC(=O)C)C)COC(=O)C

Isomeric SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C6(CC(OC(C6OC(=O)C)CO)OC(=O)C)OC(=O)C)C)COC(=O)C

InChI

InChI=1S/C44H68O10/c1-25(2)30-14-19-43(24-50-26(3)46)21-20-41(10)31(37(30)43)12-13-35-40(9)17-15-34(39(7,8)33(40)16-18-42(35,41)11)44(54-29(6)49)22-36(51-27(4)47)53-32(23-45)38(44)52-28(5)48/h30-38,45H,1,12-24H2,2-11H3