[(1R,2S,3S)-2,3,4-trimethyl-4-oxidanyl-1-[(2'S,5S,8R,9S,10S,13S,14S,16S,17R)-2',10,13-trimethyl-16-oxidanyl-3-oxidanylidene-spiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl]pentyl] ethanoate

Systemtic Name: [(1R,2S,3S)-2,3,4-trimethyl-4-oxidanyl-1-[(2'S,5S,8R,9S,10S,13S,14S,16S,17R)-2',10,13-trimethyl-16-oxidanyl-3-oxidanylidene-spiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl]pentyl] ethanoate Openeye Name: [(1R,2S,3S)-4-hydroxy-1-[(2'S,5S,8R,9S,10S,13S,14S,16S,17R)-16-hydroxy-2',10,13-trimethyl-3-oxo-spiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl]-2,3,4-trimethyl-pentyl] acetate CAS Name: acetic acid [(1R,2S,3S)-4-hydroxy-1-[(2'S,5S,8R,9S,10S,13S,14S,16S,17R)-16-hydroxy-2',10,13-trimethyl-3-oxo-2'-spiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]yl]-2,3,4-trimethylpentyl] ester IUPAC Name: [(1R,2S,3S)-4-hydroxy-1-[(2'S,5S,8R,9S,10S,13S,14S,16S,17R)-16-hydroxy-2',10,13-trimethyl-3-oxospiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl]-2,3,4-trimethylpentyl] acetate Traditional Name: acetic acid [(1R,2S,3S)-4-hydroxy-1-[(2'S,5S,8R,9S,10S,13S,14S,16S,17R)-16-hydroxy-3-keto-2',10,13-trimethyl-spiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl]-2,3,4-trimethyl-pentyl] ester Formula: C31H50O6 MolecularWeight: 518.7251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(C)(C)O)C(C1(C2(O1)C(CC3C2(CCC4C3CCC5C4(CCC(=O)C5)C)C)O)C)OC(=O)C

Isomeric SMILES

C[C@@H]([C@H](C)C(C)(C)O)[C@H]([C@]1([C@]2(O1)[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)C5)C)C)O)C)OC(=O)C

InChI

InChI=1S/C31H50O6/c1-17(18(2)27(4,5)35)26(36-19(3)32)30(8)31(37-30)25(34)16-24-22-10-9-20-15-21(33)11-13-28(20,6)23(22)12-14-29(24,31)7/h17-18,20,22-26,34-35H,9-16H2,1-8H3/t17-,18-,20-,22+,23-,24-,25-,26+,28-,29-,30-,31-/m0/s1