(Q27155178)

Cinncassiol C3 (English)

9 October 2016

chemical formula

C₂₀H₃₀O₇

1 reference

Cinncassiol C3 (English)

9 October 2016

canonical SMILES

CC1CCC2(C3(CC4(C(C(=O)C2(C1O)O4)(C(CC3=O)(C(C)C)O)C)O)C)O

1 reference

Cinncassiol C3 (English)

9 October 2016

isomeric SMILES

C[C@H]1CC[C@]2([C@]3([C@@H]1O)C(=O)[C@@]4([C@](CC(=O)C2(C[C@@]4(O3)O)C)(C(C)C)O)C)O

1 reference

Cinncassiol C3 (English)

InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3/t11-,13+,15?,16+,17-,18-,19-,20-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

Cinncassiol C3 (English)

IJPNDQQOKFKBRG-ZPZYUIKSSA-N

9 October 2016

InChIKey

2 references

Cinncassiol C3 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,5S,6R,7R,9S,10S,11S)-2,6,9,11-Tetrahydroxy-11-isopropyl-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1~7,10~.0~2,7~]pentadecane-13,15-dione (English)

9 October 2016

1 reference

Cinncassiol C3 (English)

9 October 2016

ChEBI ID

81237

mapping relation type

1 reference

Cinncassiol C3 (English)

9 October 2016

1 reference

1 reference

Cinncassiol C3 (English)