![Methyl 3-(3-tert-butoxy-7-butyl-8-hydroxy-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoate](/api/spectrum/FbWg05fnehZ/structure.png?h=300&w=458 "Methyl 3-(3-tert-butoxy-7-butyl-8-hydroxy-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoate")
| SpectraBase Compound ID | Iuca5NXeQu2 |
|---|---|
| InChI | InChI=1S/C27H48O4/c1-8-9-10-21-22(28)17-18-19-11-12-23(31-25(2,3)4)27(19,6)15-13-20(18)26(21,5)16-14-24(29)30-7/h18-23,28H,8-17H2,1-7H3 |
| InChIKey | FHOWEXNUECGSCU-UHFFFAOYSA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C27H48O4 |
| Exact Mass | 436.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FbWg05fnehZ |
|---|---|
| Name | Methyl 3-(3-tert-butoxy-7-butyl-8-hydroxy-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoate |
| Alternate Name(s) | 17.beta.-t-Butoxy-6-hydroxy-4-propyl-3,4-seco-5.beta.-androstan-3-oic acid, methyl ester 17.beta.-t-Butoxy-6.beta.-hydroxy-4-propyl-3,4-seco-5.alpha.-androstan-3-oic acid, methyl ester 17.beta.-tert-Butoxy-6.beta.-hydroxy-4-propyl-3,4-seco-5.alpha.-androstan-3-oic acid methyl ester 3-[7-butyl-8-hydroxy-3a,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid methyl ester Methyl 3-[7-butyl-8-hydroxy-3a,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate Methyl 3-(3-tert-butoxy-7-butyl-8-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoate Methyl 3-[7-butyl-3a,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-8-oxidanyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate |
| CAS Registry Number | 59251-51-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O4 |
| InChI | InChI=1S/C27H48O4/c1-8-9-10-21-22(28)17-18-19-11-12-23(31-25(2,3)4)27(19,6)15-13-20(18)26(21,5)16-14-24(29)30-7/h18-23,28H,8-17H2,1-7H3 |
| InChIKey | FHOWEXNUECGSCU-UHFFFAOYSA-N |
| Molecular Weight | 436.677 g/mol |
| SMILES | OC1C(C(CCC(=O)OC)(C2CCC3(C(C2C1)CCC3OC(C)(C)C)C)C)CCCC |
| SPLASH | splash10-0a4i-9658000000-a825cbeb8a3cc90a7e64 |
| Source of Spectrum | NP-15-1220-0 |
| Wiley ID | 1112263 |