≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Testololactone is an aromatase inhibitor. Testololactone can be used for research of breast carcinoma.
| Canonical Smiles | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2 |
|---|---|
| IUPAC Name | (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 |
| InChIKey | CNIXJDVUMXTEKX-DZBHQSCQSA-N |
| INCHI | 1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1 |
| Isomeric SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C |
| PubChem CID | 160753 |
| Molecular Weight | 302.41 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Naphthopyrans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthopyrans |
| Alternative Parents | Naphthalenes Delta valerolactones Cyclohexenones Pyrans Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Cyclohexenone - Oxane - Pyran - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
| External Descriptors | C19 steroids (androgens) and derivatives |
| Melt Point(°C) | >193° C (dec.) |
|---|---|
| Molecular Weight | 302.400 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 302.188 Da |
| Monoisotopic Mass | 302.188 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 563.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xinqi Xu, Jinchang Zhong, Bingmei Su, Lian Xu, Xiaokun Hong, Juan Lin. (2024) Single-cell enzymatic cascade synthesis of testolactone enabled by engineering of polycyclic ketone monooxygenase and multi-gene expression fine-tuning. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38897507] [10.1016/j.ijbiomac.2024.133229] |
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