Sporidesmin
[CAS# 1456-55-9]

Identification

• Name: Sporidesmin
• Synonyms: 3,11A-Epidithio-11Ah-Pyrazino(1',2':1,5)Pyrrolo(2,3-B)Indole-1,4-Dione, 9-Chloro-2,3,5A,6,10B,11-Hexahydro-10B,11-Dihydroxy-7,8-Dimethoxy-2,3,6-Trimethyl-, (3-Alpha,5A-Alpha,10B-Alpha,11-Beta,11A-Alpha)-; C10618; Sporidesmin
• Molecular Formula: C₁₈H₂₀ClN₃O₆S₂
• Molecular Weight: 473.95
• CAS Registry Number: 1456-55-9
• SMILES: [C@@]245N([C@H]1N(C)C3=C([C@]1([C@H]2O)O)C=C(C(=C3OC)OC)Cl)C(=O)[C@](SS4)(C)N(C5=O)C
• InChI: 1S/C18H20ClN3O6S2/c1-16-14(24)22-13-17(26,12(23)18(22,30-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3/t12-,13-,16-,17-,18-/m1/s1
• InChIKey: QTONANGUNATZOU-ICTVWZTPSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 761.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 414.3±32.9°C (Cal.)