| SpectraBase Compound ID | 3njXM07m9NW |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-16(28)32-18(17-13-22(29)33-23(17)30)14-21-26(5)11-7-19-24(2,3)9-6-10-25(19,4)20(26)8-12-27(21)15-31-27/h13,18-21,23,30H,6-12,14-15H2,1-5H3/t18-,19+,20-,21+,23?,25+,26-,27?/m1/s1 |
| InChIKey | PGCSGQOPBCCZEV-HOHQKMJISA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4GWpEZuk9mc |
|---|---|
| Name | (16R)-Acetoxy-(25R,S)-hydroxy-13,24-epoxy-cheilanth-17-en-19,25-olide |
| Alternate Name(s) | Acetic acid [(1R)-2-[(1S,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-1-spiro[1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,2'-oxirane]yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl] ester [(1R)-2-[(1S,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethylspiro[1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,2'-oxirane]-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl] acetate [(1R)-2-[(1S,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethylspiro[1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,2'-oxirane]-1-yl]-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-16(28)32-18(17-13-22(29)33-23(17)30)14-21-26(5)11-7-19-24(2,3)9-6-10-25(19,4)20(26)8-12-27(21)15-31-27/h13,18-21,23,30H,6-12,14-15H2,1-5H3/t18-,19+,20-,21+,23?,25+,26-,27?/m1/s1 |
| InChIKey | PGCSGQOPBCCZEV-HOHQKMJISA-N |
| Molecular Weight | 460.611 g/mol |
| SMILES | OC1C([C@@](C[C@]2([C@]3([C@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)([H])CCC22OC2)C)[H])(OC(=O)C)[H])=CC(=O)O1 |
| SPLASH | splash10-0udi-2901000000-4cf084c6c7eebd1b8ce4 |
| Source of Spectrum | F-70-9485-24 |
| Wiley ID | 1597886 |