Chemical Component Summary

NameSTIGMATELLIN
Identifiers8-hydroxy-5,7-dimethoxy-3-methyl-2-[(3R,4R,5R,6S,9E,11E)-3,4,5,6,11-pentamethyltrideca-7,9,11-trienyl]chromen-4-one
FormulaC30 H42 O5
Molecular Weight482.651
TypeNON-POLYMER
Isomeric SMILESC\C=C(/C)\C=C\C=C[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C
InChIInChI=1S/C30H42O5/c1-10-18(2)13-11-12-14-19(3)21(5)22(6)20(4)15-16-24-23(7)28(31)27-25(33-8)17-26(34-9)29(32)30(27)35-24/h10-14,17,19-22,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,20+,21-,22+/m0/s1
InChIKeyUDPIGEIYWVCFED-RBWCRZADSA-N

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count4
Bond Count78
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 5289372