N-[7-[(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Yl)Carbamothioylamino]Heptyl]-2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Ylidene]Amino]Oxyacetamide
[CAS# 75585-82-9]

Identification

• Name: N-[7-[(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Yl)Carbamothioylamino]Heptyl]-2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Ylidene]Amino]Oxyacetamide
• Synonyms: N-[7-[(3',6'-Dihydroxy-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)Carbamothioylamino]Heptyl]-2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxy-Acetamide; N-[7-[[[(3',6'-Dihydroxy-3-Oxo-5-Spiro[Isobenzofuran-1,9'-Xanthene]Yl)Amino]-Thioxomethyl]Amino]Heptyl]-2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxyacetamide; N-[7-[(3',6'-Dihydroxy-3-Keto-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)Thiocarbamoylamino]Heptyl]-2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxy-Acetamide
• Molecular Formula: C₄₉H₅₈N₄O₈S
• Molecular Weight: 863.08
• CAS Registry Number: 75585-82-9
• SMILES: [C@]89(C(C7C([C@@]6(C(=CC(=N/OCC(=O)NCCCCCCCNC(=S)NC5=CC1=C(C2(OC1=O)C4=C(OC3=C2C=CC(=C3)O)C=C(O)C=C4)C=C5)\CC6)CC7)C)CC8)CC[C@@H]9O)C
• InChI: 1S/C49H58N4O8S/c1-47-20-18-31(24-29(47)8-12-34-36-16-17-43(56)48(36,2)21-19-37(34)47)53-59-28-44(57)50-22-6-4-3-5-7-23-51-46(62)52-30-9-13-38-35(25-30)45(58)61-49(38)39-14-10-32(54)26-41(39)60-42-27-33(55)11-15-40(42)49/h9-11,13-15,24-27,34,36-37,43,54-56H,3-8,12,16-23,28H2,1-2H3,(H,50,57)(H2,51,52,62)/b53-31-/t34?,36?,37?,43-,47-,48-/m0/s1
• InChIKey: PPPVAPQNXWHRIY-KCOCSCPXSA-N

Properties

• Density: 1.415g/cm³ (Cal.)