[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate; [(8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate; [(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate; [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate

More details:

• Systematic name

  [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate; [(8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate; [(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate; [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate

• SMILES

  CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C.CCCCC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CCc4c3ccc(c4)O)C.CC(=O)OC1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C.C[C@]12CCC3c4ccc(cc4CCC3C1CC[C@@H]2O)OC(=O)c5ccccc5

• Std. InChi

  InChI=1S/C26H40O3.C25H28O3.C23H32O3.C22H28O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3;1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26;1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2;1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h17,20-23H,4-16H2,1-3H3;2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3;7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3;1,13,17-20H,5-12H2,2-3H3/t20-,21-,22-,23-,25-,26-;20?,21?,22?,23-,25-;18?,19?,20?,21-,23-;17-,18+,19+,20-,21-,22?/m0000/s1

• Std. InChIKey

  KMKOQNVUUNIMNW-HZJNKCPISA-N

• Cite this record

  CSID:166460, http://www.chemspider.com/Chemical-Structure.166460.html (accessed 01:20, Jul 1, 2024)