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6-Methyl-6-dehydro-17alpha-acetoxyprogesterone | SBID = 21 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 60.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 6.0 | ||
| 3D Volume/Å3: | 301.7 | ||
| Sum Formula: | C24H32O4 | ||
| M / g/mol: | 384.516 | ||
| Complexity: | 821.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: steroid, typical guest
- Name: 6-Methyl-6-dehydro-17alpha-acetoxyprogesterone
- Preferred Abbreviation: Megestrol acetate
- IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- CAS: 595-33-5
- CID: 11683
- InChiKey: RQZAXGRLVPAYTJ-GQFGMJRRSA-N
- InChi: InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
- CanoSmiles: CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
- IsoSmiles: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
