(Q27144090)

12S-acetoxy-punaglandin 2 (English)

8 October 2016

chemical formula

C₂₉H₄₁ClO₁₁

1 reference

12S-acetoxy-punaglandin 2 (English)

8 October 2016

canonical SMILES

CCCCCC=CCC1(C=C(C(=O)C1C(C(C(CCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)Cl)OC(=O)C

1 reference

12S-acetoxy-punaglandin 2 (English)

8 October 2016

isomeric SMILES

CCCCC/C=C\C[C@]1(C=C(C(=O)[C@@H]1[C@H]([C@@H]([C@H](CCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)Cl)OC(=O)C

1 reference

12S-acetoxy-punaglandin 2 (English)

InChI=1S/C29H41ClO11/c1-7-8-9-10-11-12-16-29(41-21(5)34)17-22(30)26(36)25(29)28(40-20(4)33)27(39-19(3)32)23(38-18(2)31)14-13-15-24(35)37-6/h11-12,17,23,25,27-28H,7-10,13-16H2,1-6H3/b12-11-/t23-,25+,27+,28+,29+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

12S-acetoxy-punaglandin 2 (English)

QCXWMBWSNWERAP-OSOZVZRNSA-N

8 October 2016

InChIKey

2 references

12S-acetoxy-punaglandin 2 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl (5S,6R,7R,14Z)-5,6,7,12-tetraacetoxy-10-chloro-9-oxoprosta-10,14-dien-1-oate (English)

8 October 2016

2 references

12S-acetoxy-punaglandin 2 (English)

matched by identifier from

8 October 2016

InChIKey

QCXWMBWSNWERAP-OSOZVZRNSA-N

ChEBI ID

73758

mapping relation type

2 references

methyl (5S,6R,7R,14Z)-5,6,7,12-tetrakis(acetyloxy)-10-chloro-9-oxoprosta-10,14-dien-1-oate (English)