(Q4652507)

CHEMBL121118 (English)

21 September 2016

chemical formula

C₂₇H₄₄O₄

1 reference

CHEMBL121118 (English)

21 September 2016

canonical SMILES

CCCCCCC(C)(C)C1=CC2=C(C3CC(CCC3C(O2)(C)CCCO)CO)C(=C1)O

1 reference

CHEMBL121118 (English)

21 September 2016

isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C([C@@H]3C[C@@H](CC[C@H]3[C@](O2)(C)CCCO)CO)C(=C1)O

1 reference

CHEMBL121118 (English)

InChI=1S/C27H44O4/c1-5-6-7-8-12-26(2,3)20-16-23(30)25-21-15-19(18-29)10-11-22(21)27(4,13-9-14-28)31-24(25)17-20/h16-17,19,21-22,28-30H,5-15,18H2,1-4H3/t19-,21-,22-,27+/m1/s1

21 September 2016

Identifiers

InChI

1 reference

CHEMBL121118 (English)

21 September 2016

1 reference

CHEMBL121118 (English)

21 September 2016

1 reference

(6aR,9R,10aR)-9-(hydroxymethyl)-6-(3-hydroxypropyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol (English)

21 September 2016

2 references

CHEMBL121118 (English)

matched by identifier from

21 September 2016

1 reference

matched by identifier from

CHEMBL121118 (English)

21 September 2016

1 reference

1 reference

matched by identifier from

UNII

52KD6XK4KF

1 reference