UU0

9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate

Created:	2023-06-22
Last modified:	2023-07-12

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1 entries where UU0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	8
Bond Count	66
Aromatic Bond Count	0

2D diagram of UU0

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Chemical Component Summary
Name	9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate
Formula	C₂₄ H₃₂ O₆
Molecular Weight	416.507
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)=O
SMILES	OpenEye OEToolkits	2.0.7	CC1CC2C3CCC4=CC(=O)CCC4(C35C(O5)CC2(C1(C(=O)COC(=O)C)O)C)C
Canonical SMILES	CACTVS	3.385	C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C
InChI	InChI	1.06	InChI=1S/C24H32O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h10,13,17-18,20,28H,5-9,11-12H2,1-4H3/t13-,17+,18-,20+,21+,22+,23+,24-/m1/s1
InChIKey	InChI	1.06	FOTDGVYUEIORAP-ITJRCREZSA-N

Related Resource References

Resource Name	Reference
PubChem	168376990

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.