roridin j (Q27252160)

UNII-1AC8HEB719 (English)

14 October 2016

chemical formula

C₂₉H₃₆O₉

1 reference

UNII-1AC8HEB719 (English)

14 October 2016

canonical SMILES

CC1C2C=CC=CC(=O)OC3CC4C5(C3(C6(CCC(=CC6O4)C)COC(=O)C=C(C(C(O1)O2)O)C)C)CO5

1 reference

UNII-1AC8HEB719 (English)

14 October 2016

isomeric SMILES

C[C@@H]1[C@H]2/C=C/C=C\C(=O)O[C@@H]3C[C@@H]4[C@]5([C@]3([C@]6(CCC(=C[C@H]6O4)C)COC(=O)/C=C(/C(C(O1)O2)O)\C)C)CO5

1 reference

UNII-1AC8HEB719 (English)

InChI=1S/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5+,8-6-,17-12+/t18-,19-,20-,21-,22-,25?,26?,27-,28-,29+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-1AC8HEB719 (English)

MCGWYAODOJPYQT-PLBDEJHPSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-1AC8HEB719 (English)

14 October 2016

1 reference

UNII

1AC8HEB719

roridin j (English)

14 October 2016

2 references

UNII-1AC8HEB719 (English)

matched by identifier from

14 October 2016

InChIKey

MCGWYAODOJPYQT-PLBDEJHPSA-N

1 reference

0 references

2 references

Global Substance Registration System

UNII

1AC8HEB719

roridin j (English)