![Methyl 3-[7-(1-hydroxybutyl)-3a,6-dimethyl-3-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate](/api/spectrum/HT3Cn1fuFvc/structure.png?h=300&w=458 "Methyl 3-[7-(1-hydroxybutyl)-3a,6-dimethyl-3-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate")
| SpectraBase Compound ID | 3SidOOkAEMF |
|---|---|
| InChI | InChI=1S/C23H38O4/c1-5-6-19(24)18-8-7-15-16-9-10-20(25)23(16,3)13-11-17(15)22(18,2)14-12-21(26)27-4/h15-19,24H,5-14H2,1-4H3 |
| InChIKey | PWIJWFCVPPUWSD-UHFFFAOYSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C23H38O4 |
| Exact Mass | 378.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HT3Cn1fuFvc |
|---|---|
| Name | Methyl 3-[7-(1-hydroxybutyl)-3a,6-dimethyl-3-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate |
| CAS Registry Number | 59251-26-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H38O4 |
| InChI | InChI=1S/C23H38O4/c1-5-6-19(24)18-8-7-15-16-9-10-20(25)23(16,3)13-11-17(15)22(18,2)14-12-21(26)27-4/h15-19,24H,5-14H2,1-4H3 |
| InChIKey | PWIJWFCVPPUWSD-UHFFFAOYSA-N |
| Molecular Weight | 378.553 g/mol |
| SMILES | OC(CCC)C1CCC2C(C1(C)CCC(OC)=O)CCC1(C(=O)CCC21)C |
| SPLASH | splash10-066r-9861000000-fac96349197bb11d01e6 |
| Source of Spectrum | NP-13-8463-0 |
| Synonyms | 4-Hydroxy-17-oxo-4-propyl-3,4-seco-5.alpha.-androstan-3-oic acid, methyl ester 3-[7-(1-hydroxybutyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid methyl ester Methyl 3-[7-(1-hydroxybutyl)-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate Methyl 3-[3a,6-dimethyl-7-(1-oxidanylbutyl)-3-oxidanylidene-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate |
| Wiley ID | 1111333 |