Testololactone structure

Testololactone

(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3H-naphtho[2,1-f]chromene-2,8-dione

Also Known As: Testololactone|Hydrotestolactone|Testolactone, 3|D-Homo-17a-oxaandrost-4-ene-3,17-dione|17a-Oxa-D-homoandrost-4-ene-3,17-dione|KST-1A5706|KST-1A5707|3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone|EX-A10288|D-homo-17alpha-Oxaandrost-4-ene-3,17-dione|17a-Oxa-D-homoandrosta-4-ene-3,17-dione|17alpha-oxo-D-homoandrost-4-ene-3,17-dione|D-homo-17 alpha-oxaandrost-4-ene-3,17-dione|3-oxo-13,17-secoandrost-4-eno-17,13alpha-lactone|(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione|(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3H-naphtho[2,1-f]chromene-2,8-dione|13,17-Secoandrost-4-en-17-oic acid, 13-hydroxy-3-oxo-, .delta.-lactone|13,17-Secoandrost-4-en-17-oic acid, 13-hydroxy-3-oxo-, delta-lactone|TLL|(4aS,4bR,10aR,10bS,12aS)-10a,12a-Dimethyl-4,4a,4b,5,6,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[2,1-f]chromene-2,8(3H)-dione|13-Hydroxy-3-oxo-13,17-secoandrost-4-en-17-oic Acid delta-Lactone|(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2H,3H,4H,4aH,4bH,5H,6H,8H,9H,10H,10aH,10bH,11H,12H,12aH-phenanthro[2,1-b]pyran-2,8-dione|(4AS,4BR,10AR,10BS,12AS)-3,4,4A,5,6,9,10,10A,10B,11,12,12A-DODECAHYDRO-10A,12A-DIMETHYL-2H-PHENANTHRO(2,1-B)PYRAN-2,8(4BH)-DIONE

CAS: 5429-96-9
Molecular Formula C19H26O3
Molecular Weight 302.1882 g/mol
LogP 2.8
Topological Polar Surface Area 43.4 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 0
Exact Mass 302.1882
Monoisotopic Mass 302.1882
Heavy Atoms 22
Complexity 563.0

Chemical Identifiers

CAS Number 5429-96-9
SMILES C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C
InChIKey CNIXJDVUMXTEKX-DZBHQSCQSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Biotechnology (1 patents) Heterocyclic Building Blocks (25 patents) Organic Building Blocks (2 patents) Pharmaceutical Intermediates (52 patents)

Product Overview

Testololactone (CAS 5429-96-9), with molecular formula C19H26O3 and molecular weight 302.1882 g/mol. IUPAC: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3H-naphtho[2,1-f]chromene-2,8-dione.

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