5-[(5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)oxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)oxy]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)oxy]-5-oxo-pentanoic acid CAS Name: 5-[[9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]oxy]-5-oxopentanoic acid IUPAC Name: 5-[(9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)oxy]-5-oxopentanoic acid Traditional Name: 5-[(9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)oxy]-5-keto-valeric acid Formula: C34H54O5 MolecularWeight: 542.78956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)OC(=O)CCCC(=O)O

Isomeric SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)OC(=O)CCCC(=O)O

InChI

InChI=1S/C34H54O5/c1-21(2)22-13-18-34(39-28(38)10-8-9-27(36)37)20-19-32(6)23(29(22)34)11-12-25-31(5)16-15-26(35)30(3,4)24(31)14-17-33(25,32)7/h22-26,29,35H,1,8-20H2,2-7H3,(H,36,37)