Compound: 566-65-4
SMILES: O=C1C[C@H]2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](C(=O)C)CC4)(C)CC3)CC2)(C)CC1
InChIKey: XMRPGKVKISIQBV-BJMCWZGWSA-N
Synonyms: 566-65-4, 5alpha-Pregnane-3,20-dione, 3,20-Allopregnanedione, 5-alpha-Dihydroprogesterone, 5alpha-Dihydroprogesterone, 3,20-Dioxo-5alpha-pregnane, 98G4S1OH0Z, (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, DTXSID301017277, NSC-18319, CHEBI:28952, 5alpha DHP, 5alpha-DHP, 5beta DHP, 5beta-DHP, 5 alpha Pregnanedione, 5-alpha-Pregnanedione, 3,20 Allopregnanedione, 5 beta Dihydroprogesterone, 5 alpha Dihydroprogesterone, 5 alpha-Dihydroprogesterone, 5alpha Pregnane 3,20 dione, 5 beta Pregnane 3,20 dione, 5 beta-Pregnane-3,20-dione, 5 alpha Pregnane 3,20 dione, 5 alpha-Pregnane-3,20-dione, (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-one, RefChem:531917, DTXCID601475484, 3,20-Allopregnanedione, (5alpha)-, 209-297-3, 5a-Pregnane-3,20-dione, allopregnandione, Allopregnan-3,20-dione, 5alpha-Pregnan-3,20-dione, MFCD00067132, 5.alpha.-Dihydroprogesterone, NSC 18319, (5alpha)-pregnane-3,20-dione, 3,20-Dioxo-5.alpha.-pregnane, 5.alpha.-Pregnane-3,20-dione, (5a)-Pregnane-3,20-dione, CHEMBL407717, 5alpha-Pregnane-3,20-dione (allo), Pregnane-3,20-dione, (5.alpha.)-, 5.beta.-Pregnane-3,20-dione, 5b-pregnane-3,20-dione, Pregnane-3,20-dione, (5a)-, Pregnane-3,20-dione, (5alpha)-, EINECS 209-297-3, Allopregnane-3,20-dione, 5.alpha.-Pregnan-3,20-dione, BRN 2058506, UNII-98G4S1OH0Z, 5|A-pregnane-3,20-dione, (5.alpha.)-Pregnane-3,20-dione, 5A-pregnane-3-20-dione-allo, allo-pregnandione, Allodihydroprogeserone, 5a-Dihydroprogesterone, 5a-Pregnan-3,20-dione, bmse000490, 3,20-Dioxo-5a-pregnane, 5 a-pregnane-3 20-dione, 5 a-pregnane-3,20-dione, BIDD:PXR0089, SCHEMBL37778, 4-07-00-02199 (Beilstein Handbook Reference), 5alpha-Pregnane 3,20-dione, Pregnane-3, (5.alpha.)-, 5alpha-pregnan-3,20 -dione, orb1301696, MSK8588, 5alpha-pregnane-3,20-dione(allo), NSC18319, BDBM50375561, LMST02030170, MSK8588-100A, s3206, Pregnane-3,20-dione, 5alpha-allo-, 3,20-ALLOPREGNANEDIONE [MI], AKOS015895181, MSK8588-1000A, CS-W006492, EBC-615994, FP40764, HY-W006492, (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-acetyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one, AS-15992, PD099522, SY076242, P2423, WLN: L E5 B666 OVTJ A1 E1 FV1, 5f inverted question mark-Pregnane-3,20-dione, C03681, Q28487660, 5alpha-Pregnane-3,20-dione (allo), progesterone metabolite, 4C28DCDC-9872-4488-85F5-6D25C01E9A45, (5alpha)-Pregnane-3,20-dione Solution in Acetonitrile, 1000ug/mL, (5alpha)-Pregnane-3,20-dione Solution in Acetonitrile, 100ug/mL, (5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one, (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Theoretical properties:
molecular_formula: C21H32O2
molecular_weight: 316.5 g/mol
exact_mass: 316.240230259 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 23
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 200 °C
Descriptions:
pubchem: 5alpha-pregnane-3,20-dione is a C21-steroid hormone that is 5alpha-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone. It has a role as a progestogen and a human metabolite. It is a 3-oxo-5alpha-steroid, a 20-oxo steroid and a C21-steroid hormone. It is functionally related to a progesterone. It derives from a hydride of a 5alpha-pregnane.
chebi: A C<small><sub>21</sub></small>-steroid hormone that is 5α-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: The Lamborghini Aventador (Spanish pronunciation: [aβentaˈðoɾ]) is a mid-engine, two-seater sports car manufactured and marketed by Lamborghini from 2011 until 2022. Named after a prominent Spanish fighting bull that fought in Zaragoza, Aragón, in 1993, the Aventador succeeded the Murciélago and was manufactured in Sant'Agata Bolognese, Italy.