3-[(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)methoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 3-[(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)methoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 4,5-dihydroxy-3-[(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)methoxy]-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 4,5-dihydroxy-3-[[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]methoxy]-6-(hydroxymethyl)-2-oxanolate IUPAC Name: 4,5-dihydroxy-3-[(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)methoxy]-6-(hydroxymethyl)oxan-2-olate Traditional Name: 4,5-dihydroxy-3-[(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)methoxy]-6-methylol-tetrahydropyran-2-olate Formula: C36H59O7- MolecularWeight: 603.84946

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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)COC6C(C(C(OC6[O-])CO)O)O

Isomeric SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)COC6C(C(C(OC6[O-])CO)O)O

InChI

InChI=1S/C36H59O7/c1-20(2)21-10-15-36(19-42-30-29(40)28(39)23(18-37)43-31(30)41)17-16-34(6)22(27(21)36)8-9-25-33(5)13-12-26(38)32(3,4)24(33)11-14-35(25,34)7/h21-31,37-40H,1,8-19H2,2-7H3/q-1