Cinerubin B Hydrochloride
[CAS# 35906-51-5]

Identification

• Name: Cinerubin B Hydrochloride
• Synonyms: Nsc243023
• Molecular Formula: C₄₂H₅₂ClNO₁₆
• Molecular Weight: 862.32
• CAS Registry Number: 35906-51-5
• SMILES: [C@]6(O)(C[C@H](OC4OC(C(OC3OC(C2OC1OC(C(=O)CC1OC2C3)C)C)C(N(C)C)C4)C)C5=C(O)C8=C(C=C5[C@H]6C(OC)=O)C(=O)C7=C(O)C=CC(=C7C8=O)O)CC.[H+].[Cl-]
• InChI: 1S/C42H51NO16.ClH/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41;/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3;1H/t16?,17?,18?,21?,25?,26?,27-,28?,29?,34-,38?,39?,41?,42+;/m0./s1
• InChIKey: AVUSZDUBXYVMJZ-LUPPXMOYSA-N

Properties

• Boiling point: 897°C at 760 mmHg (Cal.)
• Flash point: 496.3°C (Cal.)