4-[(5a,5b,8,8,11a-pentamethyl-11-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)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-olate

Systemtic Name: 4-[(5a,5b,8,8,11a-pentamethyl-11-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)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-olate Openeye Name: 3-hydroxy-4-[(11-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)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-olate CAS Name: 3-hydroxy-4-[[11-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)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanolate IUPAC Name: 3-hydroxy-4-[(11-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)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-olate Traditional Name: 3-hydroxy-4-[(11-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-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-olate Formula: C42H69O12- MolecularWeight: 765.99006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CCC5(C)C)O)C)C)COC6C(C(OC(C6OC7C(C(C(C(O7)CO)O)O)O)CO)[O-])O

Isomeric SMILES

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CCC5(C)C)O)C)C)COC6C(C(OC(C6OC7C(C(C(C(O7)CO)O)O)O)CO)[O-])O

InChI

InChI=1S/C42H69O12/c1-21(2)22-10-15-42(20-51-35-33(49)36(50)52-25(19-44)34(35)54-37-32(48)31(47)30(46)24(18-43)53-37)17-16-39(5)23(29(22)42)8-9-27-40(39,6)14-11-26-38(3,4)13-12-28(45)41(26,27)7/h22-37,43-49H,1,8-20H2,2-7H3/q-1