Sporidesmin B
[CAS# 3351-96-0]

Identification

• Name: Sporidesmin B
• 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-Hydroxy-7,8-Dimethoxy-2,3,6-Trimethyl-; Nsc 246153; Nsc246153
• Molecular Formula: C₁₈H₂₀ClN₃O₅S₂
• Molecular Weight: 457.95
• CAS Registry Number: 3351-96-0
• SMILES: C1=C4C(=C(OC)C(=C1Cl)OC)N(C5N3C2(C(N(C)C(SS2)(C)C3=O)=O)CC45O)C
• InChI: 1S/C18H20ClN3O5S2/c1-16-14(23)22-13-17(25,7-18(22,29-28-16)15(24)21(16)3)8-6-9(19)11(26-4)12(27-5)10(8)20(13)2/h6,13,25H,7H2,1-5H3
• InChIKey: HCAHETRFJITQNU-UHFFFAOYSA-N

Properties

• Density: 1.676g/cm³ (Cal.)
• Boiling point: 740.41°C at 760 mmHg (Cal.)
• Flash point: 401.585°C (Cal.)