[(2R,3R,4R,5R,6R)-6-[[(7R,10R,12S,13R,17R)-17-[(2R,6R)-7-acetyloxy-6-methyl-heptan-2-yl]-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R,6R)-6-[[(7R,10R,12S,13R,17R)-17-[(2R,6R)-7-acetyloxy-6-methyl-heptan-2-yl]-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R,6R)-6-[[(7R,10R,12S,13R,17R)-17-[(1R,5R)-6-acetoxy-1,5-dimethyl-hexyl]-3,12-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R,6R)-6-[[(7R,10R,12S,13R,17R)-17-[(2R,6R)-7-acetyloxy-6-methylheptan-2-yl]-3,12-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R,6R)-6-[[(7R,10R,12S,13R,17R)-17-[(2R,6R)-7-acetyloxy-6-methylheptan-2-yl]-3,12-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6R)-6-[[(7R,10R,12S,13R,17R)-17-[(1R,5R)-6-acetoxy-1,5-dimethyl-hexyl]-3,12-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C37H60O11 MolecularWeight: 680.8657

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4=CC(CCC34C)O)OC5C(C(C(C(O5)COC(=O)C)O)O)O)O)C)COC(=O)C

Isomeric SMILES

C[C@H](CCC[C@@H](C)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](CC4=CC(CC[C@]34C)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@H](O5)COC(=O)C)O)O)O)O)C)COC(=O)C

InChI

InChI=1S/C37H60O11/c1-19(17-45-21(3)38)8-7-9-20(2)25-10-11-26-31-27(16-30(41)37(25,26)6)36(5)13-12-24(40)14-23(36)15-28(31)47-35-34(44)33(43)32(42)29(48-35)18-46-22(4)39/h14,19-20,24-35,40-44H,7-13,15-18H2,1-6H3/t19-,20-,24?,25-,26?,27?,28-,29-,30+,31?,32+,33-,34-,35-,36+,37-/m1/s1