[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,4S,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxidanylidene-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-3-oxidanylidene-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,4S,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxidanylidene-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-3-oxidanylidene-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[(1R,4S,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-3-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,4S,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-3-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,4S,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-3-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[(1R,4S,5R,8R)-3-keto-8-[(8S,9S,10R,13S,14S,17R)-1-keto-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]tetrahydropyran-2-yl]methyl ester Formula: C42H56O14 MolecularWeight: 784.88564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OCC2C(=O)OC3CC2(OCC3C4CCC5C4(CCC6C5CC=C7C6(C(=O)C=CC7)C)C)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2C(=O)O[C@@H]3C[C@]2(OC[C@H]3[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC=C7[C@@]6(C(=O)C=CC7)C)C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C42H56O14/c1-21(43)49-20-33-35(52-22(2)44)36(53-23(3)45)37(54-24(4)46)39(56-33)50-19-31-38(48)55-32-17-41(31,6)51-18-27(32)29-14-13-28-26-12-11-25-9-8-10-34(47)42(25,7)30(26)15-16-40(28,29)5/h8,10-11,26-33,35-37,39H,9,12-20H2,1-7H3/t26-,27-,28-,29+,30-,31+,32+,33+,35+,36-,37+,39+,40-,41+,42-/m0/s1