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Molecule
Equipoise
CAS: 13103-34-9 · C30H44O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13103-34-9
- Molecular Formula
- C30H44O3
- Molecular Mass
- 452.68 g/mol
Identifiers
CAS Registry Number
13103-34-9
SMILES
C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChI Key
AHMMSNQYOPMLSX-CNQKSJKFSA-N
InChI
InChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1
Names and Synonyms
- Equipoise Common Name
- Androsta-1,4-dien-3-one, 17-[(1-oxo-10-undecenyl)oxy]-, (17β)- Synonym
- Androsta-1,4-dien-3-one, 17β-hydroxy-, 10-undecenoate Synonym
- 10-Undecenoic acid, ester with 17β-hydroxyandrosta-1,4-dien-3-one Synonym
- (17β)-17-[(1-Oxo-10-undecenyl)oxy]androsta-1,4-dien-3-one Synonym
- Boldenone undecylenate Synonym
- Ba 29038 Synonym
- Parenabol Synonym
- Vebonol Synonym
- Equipoise Synonym
- Boldefarm Synonym
- Boldenone 10-undecenoate Synonym
- Ba 9038 Synonym
- 17b-((1-Oxo-10-undecenyl)oxy)-androsta-1,4-dien-3-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 452.68 g/mol | CAS Common Chemistry |
| 452.6790000000003 g/mol | RDKit | |
| 452.679 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C(OC(=O)CCCCCCCCC=C)CCC34)C | CAS Common Chemistry |
| InChI | InChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AHMMSNQYOPMLSX-CNQKSJKFSA-N | CAS Common Chemistry |
| Name | Equipoise | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 7.512900000000009 | RDKit |
| 7.5129 | RDKit | |
| Molar Refractivity | 133.62900000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7333 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 452.32904526799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 452.68 g/mol. Edit any field — others recompute live.
