| SpectraBase Compound ID | JxQUnVKyirD |
|---|---|
| InChI | InChI=1S/C27H38O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h11,13,15-17,20-24H,5-10,12,14H2,1-4H3/t16?,17-,20-,21+,22-,23-,24?,26-,27+/m0/s1 |
| InChIKey | OIROZVSBVQAEPT-NQWODNNOSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C27H38O3 |
| Exact Mass | 410.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J49RzAQiy93 |
|---|---|
| Name | Minabeolide 4 |
| Alternate Name(s) | 6-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-2-oxanone 6-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyloxan-2-one 6-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-tetrahydropyran-2-one 6-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-oxan-2-one |
| CAS Registry Number | 114820-26-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O3 |
| InChI | InChI=1S/C27H38O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h11,13,15-17,20-24H,5-10,12,14H2,1-4H3/t16?,17-,20-,21+,22-,23-,24?,26-,27+/m0/s1 |
| InChIKey | OIROZVSBVQAEPT-NQWODNNOSA-N |
| Molecular Weight | 410.598 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(C=CC(=O)C4)C)[H])(CC[C@@]1([C@@](C1OC(=O)C(CC1)C)(C)[H])[H])[H])C |
| SPLASH | splash10-00di-0900000000-c8e630160bbb21f2bf7a |
| Source of Spectrum | J-53-3929-4 |
| Wiley ID | 1373830 |