6a-Methyl Prednisolone 17-Propionate

Name: 6a-Methyl Prednisolone 17-Propionate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₃₄O₄ — CID 139025212

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1R,2R,4R,5R,7S,10R,11R,14S,15S,16S,18S,19R)-5,7-dihydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2'-one

SMILESC[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1

InChIInChI=1S/C24H34O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h12-17,19-20,25,27H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,19+,20+,21+,22-,23+,24-/m0/s1

InChIKeyJZWBUSOXVHJXDL-LMCPHZFHSA-N

MW386.53 g/mol

LogP3.29

Rot. Bonds

About 6a-Methyl Prednisolone 17-Propionate

6a-Methyl Prednisolone 17-Propionate (PubChem CID 139025212) has the molecular formula C₂₄H₃₄O₄ and a molecular weight of 386.53 g/mol. Its IUPAC name is (1R,2R,4R,5R,7S,10R,11R,14S,15S,16S,18S,19R)-5,7-dihydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2'-one.

Molecular Properties

Compound Name	6a-Methyl Prednisolone 17-Propionate
PubChem CID	139025212
Molecular Formula	C₂₄H₃₄O₄
Molecular Weight	386.53 g/mol
Exact Mass	386.25
IUPAC Name	(1R,2R,4R,5R,7S,10R,11R,14S,15S,16S,18S,19R)-5,7-dihydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2'-one
SMILES	C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
InChI	InChI=1S/C24H34O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h12-17,19-20,25,27H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,19+,20+,21+,22-,23+,24-/m0/s1
InChIKey	JZWBUSOXVHJXDL-LMCPHZFHSA-N
XLogP	3.29
TPSA	66.76 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6a-Methyl Prednisolone 17-Propionate?

The IUPAC name of 6a-Methyl Prednisolone 17-Propionate (CID 139025212) is (1R,2R,4R,5R,7S,10R,11R,14S,15S,16S,18S,19R)-5,7-dihydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2'-one.

What is the SMILES notation for 6a-Methyl Prednisolone 17-Propionate?

The canonical SMILES for 6a-Methyl Prednisolone 17-Propionate is C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1.

What is the InChIKey of 6a-Methyl Prednisolone 17-Propionate?

The InChIKey is JZWBUSOXVHJXDL-LMCPHZFHSA-N. The full InChI is InChI=1S/C24H34O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h12-17,19-20,25,27H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,19+,20+,21+,22-,23+,24-/m0/s1.

What are the key properties of 6a-Methyl Prednisolone 17-Propionate?

6a-Methyl Prednisolone 17-Propionate has a molecular weight of 386.53 g/mol, XLogP of 3.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6a-Methyl Prednisolone 17-Propionate is sourced from PubChem (CID 139025212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139025212 — identifiers, structure, computed properties (public domain)

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