(Q27136366)

Ferruginene A (English)

7 October 2016

chemical formula

C₂₂H₃₀O₄

1 reference

Ferruginene A (English)

7 October 2016

canonical SMILES

CC1=CC2=C(C3C(CCC(C3O2)(C)O)C(=C)CCC(C(=C)C)O)C(=C1)O

1 reference

Ferruginene A (English)

7 October 2016

isomeric SMILES

CC1=CC2=C([C@H]3[C@@H](CC[C@]([C@H]3O2)(C)O)C(=C)CCC(C(=C)C)O)C(=C1)O

1 reference

Ferruginene A (English)

InChI=1S/C22H30O4/c1-12(2)16(23)7-6-14(4)15-8-9-22(5,25)21-19(15)20-17(24)10-13(3)11-18(20)26-21/h10-11,15-16,19,21,23-25H,1,4,6-9H2,2-3,5H3/t15-,16?,19+,21-,22-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

Ferruginene A (English)

VEMLNKJUTGWLOB-GKZIPKGRSA-N

7 October 2016

InChIKey

2 references

Ferruginene A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5aS,6S,9R,9aR)-9-(5-Hydroxy-6-methyl-1,6-heptadien-2-yl)-3,6-dimethyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-1,6-diol (English)

7 October 2016

1 reference

(5aS,6S,9R,9aR)-9-(5-Hydroxy-6-methyl-1,6-heptadien-2-yl)-3,6-dimethyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-1,6-diol (English)

7 October 2016

1 reference

Ferruginene A (English)

7 October 2016

ChEBI ID

67891

mapping relation type

1 reference

ferruginene A, (rel)- (English)

7 October 2016

1 reference