| SpectraBase Compound ID | H7fIspnHott |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17,19-24H,6-16H2,1-5H3/t17-,19-,20-,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | DVIUCIPCTDVQAP-VCRDOGAPSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FDbtG3LYl8R |
|---|---|
| Name | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester |
| Alternate Name(s) | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| CAS Registry Number | 3253-69-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17,19-24H,6-16H2,1-5H3/t17-,19-,20-,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | DVIUCIPCTDVQAP-VCRDOGAPSA-N |
| Molecular Weight | 432.645 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C |
| SPLASH | splash10-00di-0009000000-d3e933fca2ad9d79de2b |
| Source of Spectrum | U-1997-1968-10 |
| Wiley ID | 770010 |