[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] methanoate

Systemtic Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] methanoate Openeye Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate CAS Name: formic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate Traditional Name: formic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester Formula: C33H48O9 MolecularWeight: 588.72882

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC(O1)OC3CCC4(C(C3)CCC5C4CCC6(C5(CC(C6C7=CC(=O)OC7)OC=O)O)C)C)OC(O2)(C)C

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C[C@@H](O1)O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4CC[C@]6([C@@]5(C[C@@H]([C@@H]6C7=CC(=O)OC7)OC=O)O)C)C)OC(O2)(C)C

InChI

InChI=1S/C33H48O9/c1-18-29-24(41-30(2,3)42-29)14-27(39-18)40-21-8-10-31(4)20(13-21)6-7-23-22(31)9-11-32(5)28(19-12-26(35)37-16-19)25(38-17-34)15-33(23,32)36/h12,17-18,20-25,27-29,36H,6-11,13-16H2,1-5H3/t18-,20-,21+,22+,23-,24+,25+,27+,28+,29-,31+,32-,33+/m1/s1