50-03-3|Hydrocortisone acetate|HYDROCORTISONE-21-ACETATE|17-Hydroxycorticosterone 21...

2D 3D Down Zoom

2-[(2R,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0?,?.0??,??]heptadec-6-en-14-yl]-2-oxoethyl acetate: ChemBase ID: 102523; Molecular Formular: C23H32O6; Molecular Mass: 404.49658; Monoisotopic Mass: 404.21988874
SMILES and InChIs

SMILES:
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H](C[C@]12C)O)O
Canonical SMILES:
CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C
InChI:
InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16?,17?,18-,20?,21-,22-,23-/m0/s1
InChIKey:
ALEXXDVDDISNDU-KPYZGQEZSA-N
Cite this record CBID:102523 http://www.chembase.cn/molecule-102523.html

NAMES AND DATABASE IDS

IUPAC name

2-[(2R,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0?,?.0??,??]heptadec-6-en-14-yl]-2-oxoethyl acetate

2-[(2R,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]-2-oxoethyl acetate

IUPAC Traditional name

2-[(2R,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0?,?.0??,??]heptadec-6-en-14-yl]-2-oxoethyl acetate

2-[(2R,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]-2-oxoethyl acetate

Synonyms

Δ⁴-Pregnen-11β,17α,21-triol-3,20-dione

Cortisol acetate;17-α-Hydroxycorticosterone acetate

17-Hydroxycorticosterone 21-acetate

HYDROCORTISONE-21-ACETATE

Hydrocortisone acetate

醋酸氢化可的松

CAS Number

50-03-3

EC Number

200-004-4

MDL Number

MFCD00037714

Beilstein Number

2066841

Merck Index

144787

PubChem SID

162089921

PubChem CID

5702068