Crambescidin 816
[CAS# 135257-45-3]

Identification

• Name: Crambescidin 816
• Synonyms: Dispiro(Oxepin-2(3H),4'-(4H-5,6,8B)Triazaacenaphthylene-7'(5'H),2''-(2H)Pyran)-8'-Carboxylic Acid, 7-Ethyl-1',2',2'A,3',3'',4,4'',5'',6'',7,8',8'A-Dodecahydro-8'A-Hydroxy-6''-Methyl-, 16-((4-Amino-2-Hydroxybutyl)(3-Aminopropyl)Amino)-16-Oxohexadecyl Ester, (2'As-(2'Aalpha,4'Alpha(R*),7'Alpha(S*),8'Beta(R*),8'Aalpha))-
• Molecular Formula: C₄₅H₈₀N₆O₇
• Molecular Weight: 817.16
• CAS Registry Number: 135257-45-3
• SMILES: C(OC(=O)C4C1(O)N3C(CC1)CC2(OC(C=CCC2)CC)NC3=NC45OC(CCC5)C)CCCCCCCCCCCCCCC(=O)N(CC(O)CCN)CCCN
• InChI: 1S/C45H80N6O7/c1-3-38-22-16-17-26-43(58-38)33-36-24-28-45(55)40(44(27-19-21-35(2)57-44)49-42(48-43)51(36)45)41(54)56-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-39(53)50(31-20-29-46)34-37(52)25-30-47/h16,22,35-38,40,52,55H,3-15,17-21,23-34,46-47H2,1-2H3,(H,48,49)
• InChIKey: DFDTZECTHJFPHE-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 900.264°C at 760 mmHg (Cal.)
• Flash point: 498.262°C (Cal.)