Dihydrosomatostatin
[CAS# 40958-31-4]

Identification

• Name: Dihydrosomatostatin
• Synonyms: Somatostatin (15-28); Somatostatin (Sheep Reduced)
• Molecular Formula: C₇₆H₁₀₆N₁₈O₁₉S₂
• Molecular Weight: 1639.90
• CAS Registry Number: 40958-31-4
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)C)CS)CCCCN)CC(=O)N)CC1=CC=CC=C1)CC2=CC=CC=C2)(CC3=C[NH]C4=C3C=CC=C4)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)CO)[C@H](O)C)CC5=CC=CC=C5)[C@H](O)C)CCCCN
• InChI: 1S/C76H106N18O19S2/c1-41(79)64(100)82-37-61(99)83-58(39-114)73(109)85-50(27-15-17-29-77)65(101)89-56(35-60(80)98)70(106)87-52(31-44-19-7-4-8-20-44)67(103)86-53(32-45-21-9-5-10-22-45)68(104)88-55(34-47-36-81-49-26-14-13-25-48(47)49)69(105)84-51(28-16-18-30-78)66(102)93-62(42(2)96)74(110)90-54(33-46-23-11-6-12-24-46)71(107)94-63(43(3)97)75(111)91-57(38-95)72(108)92-59(40-115)76(112)113/h4-14,19-26,36,41-43,50-59,62-63,81,95-97,114-115H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
• InChIKey: XWJDVNOOYSANGI-ATOGVRKGSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 1980.1°C at 760 mmHg (Cal.)
• Flash point: 1151.3°C (Cal.)