Cytran
[CAS# 8059-60-7]

Identification

• Name: Cytran
• Synonyms: (6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-17-Hydroxy-6-Methoxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (Z)-N-Carbamoyl-2-Ethyl-But-2-Enamide; 6-Ethoxy-1,3-Benzothiazole-2-Sulfonamide; (Z)-N-Aminocarbonyl-2-Ethyl-But-2-Enamide; (6S,8R,9S,10R,13S,14S,17R)-17-Ethanoyl-17-Hydroxy-6-Methoxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; 6-Ethoxy-1,3-Benzothiazole-2-Sulfonamide
• Molecular Formula: C₃₈H₅₄N₄O₉S₂
• Molecular Weight: 774.99
• CAS Registry Number: 8059-60-7
• SMILES: [C@H]24[C@H]1[C@@]([C@](O)(CC1)C(=O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)[C@@H](OC)C4)C)C.C6=C5SC(=NC5=CC=C6OCC)[S](=O)(=O)N.C(\C(C(=O)NC(=O)N)=C\C)C
• InChI: 1S/C22H32O4.C9H10N2O3S2.C7H12N2O2/c1-13(23)22(25)10-7-17-15-12-19(26-4)18-11-14(24)5-8-20(18,2)16(15)6-9-21(17,22)3;1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13;1-3-5(4-2)6(10)9-7(8)11/h11,15-17,19,25H,5-10,12H2,1-4H3;3-5H,2H2,1H3,(H2,10,12,13);3H,4H2,1-2H3,(H3,8,9,10,11)/b;;5-3-/t15-,16+,17+,19+,20-,21+,22+;;/m1../s1
• InChIKey: KMPLYESDOZJASB-PAHRJMAXSA-N

Properties

• Boiling point: 508°C at 760 mmHg (Cal.)
• Flash point: 172.8°C (Cal.)