| SpectraBase Compound ID | IP3GhPBOOg6 |
|---|---|
| InChI | InChI=1S/C29H50O4/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21(17-26(30)32-6)29(5,18-27(31)33-7)25(22)15-16-28(23,24)4/h19-25H,8-18H2,1-7H3 |
| InChIKey | NTAQGWHZPYUDNV-UHFFFAOYSA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C29H50O4 |
| Exact Mass | 462.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5pQppkQNUiT |
|---|---|
| Name | 2,3-Secocholestane-2,3-dioic acid, dimethyl ester, (5.beta.)- |
| CAS Registry Number | 1180-24-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O4 |
| InChI | InChI=1S/C29H50O4/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21(17-26(30)32-6)29(5,18-27(31)33-7)25(22)15-16-28(23,24)4/h19-25H,8-18H2,1-7H3 |
| InChIKey | NTAQGWHZPYUDNV-UHFFFAOYSA-N |
| Molecular Weight | 462.715 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC1C2CCC(C1(C)CC(=O)OC)CC(=O)OC)C |
| SPLASH | splash10-0ap3-9632000000-fccb257fb2f92d3361aa |
| Source of Spectrum | W5-35904-29632-29632 |
| Synonyms | 2-[3-(1,5-dimethylhexyl)-6-(2-keto-2-methoxy-ethyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-benz[e]inden-7-yl]acetic acid methyl ester 2-[6-(2-methoxy-2-oxoethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetic acid methyl ester Methyl 2-[3-(1,5-dimethylhexyl)-6-(2-methoxy-2-oxo-ethyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetate Methyl 2-[6-(2-methoxy-2-oxidanylidene-ethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanoate Methyl 2-[6-(2-methoxy-2-oxoethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetate |
| Wiley ID | 1391175 |