Benzoic acid 1-(2-hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-yl ester
Modify Date: 2025-08-25 14:15:57
Benzoic acid 1-(2-hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-yl ester structure
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Common Name | Benzoic acid 1-(2-hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-yl ester | ||
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| CAS Number | 66774-70-7 | Molecular Weight | 316.43500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C20H28O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | (8S,20S)-des-A,B-8-benzoyloxy-20-(hydroxymethyl)-pregnane |
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| Synonym | More Synonyms |
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.43500 |
| Exact Mass | 316.20400 |
| PSA | 46.53000 |
| LogP | 4.05680 |
| InChIKey | YDGDTMZQDFVDCD-UHFFFAOYSA-N |
| SMILES | CC(CO)C1CCC2C(OC(=O)c3ccccc3)CCCC12C |
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~94%
Benzoic acid 1-... CAS#:66774-70-7 |
| Literature: WISCONSIN ALUMNI RESEARCH FOUNDATION Patent: US2007/191316 A1, 2007 ; Location in patent: Page/Page column 8-9; 11-12 ; |
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~%
Benzoic acid 1-... CAS#:66774-70-7 |
| Literature: Fall, Yagamare; Barreiro, Candida; Fernandez, Carlos; Mourino, Antonio Tetrahedron Letters, 2002 , vol. 43, # 8 p. 1433 - 1436 |
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~%
Benzoic acid 1-... CAS#:66774-70-7 |
| Literature: Granja; Castedo; Mourino Journal of Organic Chemistry, 1993 , vol. 58, # 1 p. 124 - 131 |
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~%
Benzoic acid 1-... CAS#:66774-70-7 |
| Literature: Granja; Castedo; Mourino Journal of Organic Chemistry, 1993 , vol. 58, # 1 p. 124 - 131 |
| Precursor 3 | |
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| DownStream 0 | |
| (8S,20S)-des-A,B-8-benzoyloxy-20-(hydroxymethyl)pregnane |
| BENZOIC ACID 1-(2-HYDROXY-1-METHYL-ETHYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YL ESTER |
| (1R,4S,7AR)-1-[(2S)-1-HYDROXYPROPAN-2-YL]-7A-METHYL-OCTAHYDRO-1H-INDEN-4-YL BENZOATE |
| (8S,20S)-de-A,B-8-benzoyloxy-20-(hydroxymethyl)pregnane |
| des-A,B-8β-(benzoyloxy)-23,24-dinorcholane-22-ol |