4-[(3a,5a,5b,8,8,11a-hexamethyl-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-9-yl)oxy]-6-(hydroxymethyl)-3-oxidanyl-5-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-olate

Systemtic Name: 4-[(3a,5a,5b,8,8,11a-hexamethyl-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-9-yl)oxy]-6-(hydroxymethyl)-3-oxidanyl-5-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-olate Openeye Name: 3-hydroxy-6-(hydroxymethyl)-4-[(1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl)oxy]-5-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-olate CAS Name: 4-[[3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-3-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanolate IUPAC Name: 4-[(3a,5a,5b,8,8,11a-hexamethyl-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-9-yl)oxy]-3-hydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-olate Traditional Name: 3-hydroxy-4-[(1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl)oxy]-6-methylol-5-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-olate Formula: C41H67O10- MolecularWeight: 719.96468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC6C(C(OC(C6OC7C(C(C(CO7)O)O)O)CO)[O-])O)C)C

Isomeric SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC6C(C(OC(C6OC7C(C(C(CO7)O)O)O)CO)[O-])O)C)C

InChI

InChI=1S/C41H67O10/c1-21(2)22-11-14-38(5)17-18-40(7)23(29(22)38)9-10-27-39(6)15-13-28(37(3,4)26(39)12-16-41(27,40)8)50-34-32(46)35(47)49-25(19-42)33(34)51-36-31(45)30(44)24(43)20-48-36/h22-36,42-46H,1,9-20H2,2-8H3/q-1