Pregnane-11,20-dione, 3,21-bis(acetyloxy)-17-hydroxy-, (3β,5α)-
CAS Registry Number®
4986-95-2
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CAS Name
Pregnane-11,20-dione, 3,21-bis(acetyloxy)-17-hydroxy-, (3β,5α)-Molecular Formula
C25H36O7Molecular Mass
448.55Cite this Page
Pregnane-11,20-dione, 3,21-bis(acetyloxy)-17-hydroxy-, (3β,5α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4986-95-2 (retrieved ) (CAS RN: 4986-95-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
220 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17-,18-,19-,22+,23-,24-,25-/m0/s1
InChIKey
InChIKey=PXQRJZNDFRAFTF-IPRRWUCRSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@H](OC(C)=O)CC4)[H])(C(=O)C1)[H])[H])(CC[C@@]2(C(COC(C)=O)=O)O)[H]
Canonical SMILES
O=C(OCC(=O)C1(O)CCC2C3CCC4CC(OC(=O)C)CCC4(C)C3C(=O)CC21C)C
Other Names for this Substance
- Pregnane-11,20-dione, 3,21-bis(acetyloxy)-17-hydroxy-, (3β,5α)-
- 5α-Pregnane-11,20-dione, 3β,17,21-trihydroxy-, 3,21-diacetate
- Allopregnane-3β,17α,21-triol-11,20-dione 3,21-diacetate
- 3β,21-Diacetoxy-17α-hydroxy-5α-pregnane-11,20-dione
