Stigmatellin
[CAS# 91682-96-1]

Identification

• Name: Stigmatellin
• Synonyms: 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Dimethoxy-3,5,11-Trimethyl-Trideca-7,9,11-Trienyl]-8-Hydroxy-5,7-Dimethoxy-3-Methyl-Chromen-4-One; 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Dimethoxy-3,5,11-Trimethyltrideca-7,9,11-Trienyl]-8-Hydroxy-5,7-Dimethoxy-3-Methyl-4-Chromenone
• Molecular Formula: C₃₀H₄₂O₇
• Molecular Weight: 514.66
• CAS Registry Number: 91682-96-1
• SMILES: [C@H](CCC1=C(C(=O)C2=C(O1)C(=C(OC)C=C2OC)O)C)([C@H](OC)[C@@H]([C@@H](OC)\C=C\C=C\C(=C\C)C)C)C
• InChI: 1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1
• InChIKey: UZHDGDDPOPDJGM-CVOZLMQJSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 635.037°C at 760 mmHg (Cal.)
• Flash point: 198.105°C (Cal.)

References

• (1): Ulanovskaya et al.. Synthesis Enables Identification of the Cellular Target of Leucascandrolide A and Neopeltolide, Nature Chemical Biology, 2008