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Sporidesmin B
[CAS# 3351-96-0]

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CAS#: 3351-96-0
Product: Sporidesmin B
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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 Structure CAS#: 3351-96-0, Sporidesmin B
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.)
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