Caulerpin
[CAS# 26612-48-6]

Identification

• Name: Caulerpin
• Synonyms: Caulerpin; Inchi=1/C24h18n2o4/C1-29-23(27)17-11-15-13-7-3-6-10-20(13)26-22(15)18(24(28)30-2)12-16-14-8-4-5-9-19(14)25-21(16)17/H3-12,25-26H,1-2H3/B15-11-,16-12-,17-11+,18-12+,21-17-,22-18; Nci60_041046
• Molecular Formula: C₂₄H₁₈N₂O₄
• Molecular Weight: 398.42
• CAS Registry Number: 26612-48-6
• SMILES: C1=CC=CC2=C1C/5=C([NH]2)C(=C\C3=C([NH]C4=C3C=CC=C4)C(=C5)/C(OC)=O)/C(OC)=O
• InChI: 1S/C24H18N2O4/c1-29-23(27)17-11-15-13-7-3-6-10-20(13)26-22(15)18(24(28)30-2)12-16-14-8-4-5-9-19(14)25-21(16)17/h3-12,25-26H,1-2H3/b15-11?,16-12?,17-11+,18-12+,21-17?,22-18?
• InChIKey: PVWALMHWUOWPPA-RPLHEXBESA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 663.957°C at 760 mmHg (Cal.)
• Flash point: 355.349°C (Cal.)

References

• (1): Mangala B. Govenkar, Solimabi Wahidulla. Constituents of Chondria armata, Phytochemistry, v.54(8), p. 979-981 (2000)Isolation from red alga Chondria armata.