Pregna-1,4-diene-3,20-dione, 9-chloro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11β,16β)-
CAS Registry Number®
52619-18-8
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CAS Name
Pregna-1,4-diene-3,20-dione, 9-chloro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11β,16β)-Molecular Formula
C27H37ClO6Molecular Mass
493.03Cite this Page
Pregna-1,4-diene-3,20-dione, 9-chloro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11β,16β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=52619-18-8 (retrieved ) (CAS RN: 52619-18-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H37ClO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
InChIKey
InChIKey=CYBACPSHBXABHX-SUYDQAKGSA-N
SMILES
C[C@@]12[C@@](OC(CCCC)=O)(C(CO)=O)[C@@H](C)C[C@]1([C@]3([C@](Cl)([C@@H](O)C2)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CCCC)(C(=O)CO)C4(C)CC(O)C32Cl)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 9-chloro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11β,16β)-
