5a,5b,8,8,11a-pentamethyl-9-[2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]prop-2-enoxy]-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Systemtic Name: 5a,5b,8,8,11a-pentamethyl-9-[2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]prop-2-enoxy]-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Openeye Name: 1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-[2-[(3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl)methyl]allyloxy]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid CAS Name: 5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-9-[2-[[6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]methyl]prop-2-enoxy]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid IUPAC Name: 5a,5b,8,8,11a-pentamethyl-9-[2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]prop-2-enoxy]-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Traditional Name: 1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-[2-[(3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl)methyl]allyloxy]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Formula: C61H82O7 MolecularWeight: 927.29958

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)CC(=C)COC2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)C)C)C)C(=O)O)C(=C)C)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

Isomeric SMILES

CC1C(C(C(C(O1)CC(=C)COC2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)C)C)C)C(=O)O)C(=C)C)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C61H82O7/c1-40(2)46-27-32-61(56(62)63)34-33-59(8)47(52(46)61)25-26-50-58(7)30-29-51(57(5,6)49(58)28-31-60(50,59)9)64-36-41(3)35-48-54(66-38-44-21-15-11-16-22-44)55(67-39-45-23-17-12-18-24-45)53(42(4)68-48)65-37-43-19-13-10-14-20-43/h10-24,42,46-55H,1,3,25-39H2,2,4-9H3,(H,62,63)