Climacterone
[CAS# 8063-58-9]

Identification

• Name: Climacterone
• Synonyms: [(8R,9S,13S,14S,17S)-3-Heptanoyloxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Heptanoate; [(3Z,10R,13S)-3-[[2-Hydroxy-2,2-Di(Phenyl)Acetyl]Hydrazono]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Heptanoate; [(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Benzoate; Benzoic Acid [(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Heptanoic Acid [(3Z,10R,13S)-3-[[2-Hydroxy-1-Oxo-2,2-Di(Phenyl)Ethyl]Hydrazono]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Heptanoic Acid [(8R,9S,13S,14S,17S)-13-Methyl-3-(1-Oxoheptoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₉₇H₁₂₈N₂O₁₁
• Molecular Weight: 1498.09
• CAS Registry Number: 8063-58-9
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(OC(=O)CCCCCC)C=C2)CC[C@@]3([C@@H](OC(=O)CCCCCC)CC4)C.[C@]9%10(C(C8C([C@@]7(C(=CC(=N/NC(=O)C(O)(C5=CC=CC=C5)C6=CC=CC=C6)\CC7)CC8)C)CC9)CCC%10OC(=O)CCCCCC)C.[C@]%14%15(C(C%11C(C%13=C(CC%11)C=C(OC(=O)C%12=CC=CC=C%12)C=C%13)CC%14)CC[C@@H]%15O)C
• InChI: 1S/C40H52N2O4.C32H48O4.C25H28O3/c1-4-5-6-13-18-36(43)46-35-22-21-33-32-20-19-30-27-31(23-25-38(30,2)34(32)24-26-39(33,35)3)41-42-37(44)40(45,28-14-9-7-10-15-28)29-16-11-8-12-17-29;1-4-6-8-10-12-30(33)35-24-15-17-25-23(22-24)14-16-27-26(25)20-21-32(3)28(27)18-19-29(32)36-31(34)13-11-9-7-5-2;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/h7-12,14-17,27,32-35,45H,4-6,13,18-26H2,1-3H3,(H,42,44);15,17,22,26-29H,4-14,16,18-21H2,1-3H3;2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/b41-31-;;/t32?,33?,34?,35?,38-,39-;26-,27-,28+,29+,32+;20?,21?,22?,23-,25-/m010/s1
• InChIKey: QXBPICMWCWLRHM-JOZFEFOJSA-N