CC(=O)OCC(=O)C1(CCC2C1(CC3C4(C2CCC5=CC(=O)C=CC54C)O3)C)O
CAS: 38680-83-0
名称: [2-[(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC3C4(C2CCC5=CC(=O)C=CC54C)O3)C)O

Molecular Processing

Molecular formula
C23H28O6
Molecular weight
400.47
Exact mass
400.1886
XLogP
2.29
TPSA
93.2
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
102.7

Supplementary Information

InChIKey: DBNHODAAFAHQNY-WWUWEVONSA-N
同義語
38680-83-09beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetateEINECS 254-079-3EC 254-079-3DTXSID50191977(9beta,11beta)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dioneRefChem:549923DTXCID90114468254-079-3[2-[(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate85PMV8F52DSCHEMBL5708123DBNHODAAFAHQNY-WWUWEVONSA-NAKOS0159016359beta,11beta-epoxy-21-acetoxy-17-hydroxy-pregna-1,4-diene-3,20-dione9beta,11beta-epoxy-21-acetoxy-17-hydroxypregna-1,4-diene-3,20-dione17-Hydroxy-3,20-dioxo-9beta,11beta-9,11-epoxypregna-1,4-dien-21-yl acetate9beta-Pregna-1,4-diene-3,20-dione, 9,11beta-epoxy-17,21-dihydroxy-, 21-acetatePregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9beta,11beta)-2-((4aS,4bS,5aS,6aS,7R,9aS,9bS)-7-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)-2-oxoethyl acetate
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