| SpectraBase Compound ID | 8yKx2Qrttps |
|---|---|
| InChI | InChI=1S/C27H38O3/c1-16-13-19(28)14-18-15-27(30-23(16)18)17(2)7-8-21-25(5)11-10-22(29)24(3,4)20(25)9-12-26(21,27)6/h13-14,17,20-21,28H,7-12,15H2,1-6H3/t17-,20-,21+,25-,26+,27-/m0/s1 |
| InChIKey | OQOGUNVGUJIIKN-XBCOVPHVSA-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 | 6r44cLF2O9l |
|---|---|
| Name | (5.alpha.,13.alpha.)-14,17-Epoxy-23-hydroxy-4,4,8-trimethyl-16,24-cyclo-13,17-secochola-16,20(22)-23-trien-3-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O3 |
| InChI | InChI=1S/C27H38O3/c1-16-13-19(28)14-18-15-27(30-23(16)18)17(2)7-8-21-25(5)11-10-22(29)24(3,4)20(25)9-12-26(21,27)6/h13-14,17,20-21,28H,7-12,15H2,1-6H3/t17-,20-,21+,25-,26+,27-/m0/s1 |
| InChIKey | OQOGUNVGUJIIKN-XBCOVPHVSA-N |
| Molecular Weight | 410.598 g/mol |
| SMILES | Oc1cc2C[C@]3([C@]4([C@]([C@]5(CCC(C([C@@]5(CC4)[H])(C)C)=O)C)([H])CC[C@@]3(C)[H])C)Oc2c(c1)C |
| SPLASH | splash10-03di-0020900000-59aa93fd03671a224e34 |
| Source of Spectrum | J-63-5106-22 |
| Synonyms | (2S,4'aR,4'bR,7'S,8'aR,10'aR)-1',1',4'a,7,7',8'a-hexamethyl-5-oxidanyl-spiro[3H-1-benzofuran-2,8'-4,4b,5,6,7,9,10,10a-octahydro-3H-phenanthrene]-2'-one (2'S,4'aR,4'bR,8'aR,10'aR)-5-hydroxy-2',4'b,7,8',8',10'a-hexamethyl-3',4',4'a,4'b,5',6',7',8',8'a,9',10',10'a-dodecahydro-2'H,3H-spiro[1-benzofuran-2,1'-phenanthrene]-7'-one (2S,4'aR,4'bR,7'S,8'aR,10'aR)-5-hydroxy-1',1',4'a,7,7',8'a-hexamethyl-2'-spiro[3H-benzofuran-2,8'-4,4b,5,6,7,9,10,10a-octahydro-3H-phenanthrene]one (2S,4'aR,4'bR,7'S,8'aR,10'aR)-5-hydroxy-1',1',4'a,7,7',8'a-hexamethyl-spiro[3H-benzofuran-2,8'-4,4b,5,6,7,9,10,10a-octahydro-3H-phenanthrene]-2'-one (2S,4'aR,4'bR,7'S,8'aR,10'aR)-5-hydroxy-1',1',4'a,7,7',8'a-hexamethylspiro[3H-1-benzofuran-2,8'-4,4b,5,6,7,9,10,10a-octahydro-3H-phenanthrene]-2'-one (4aR,4bR,7S,8S,8aR,10aR)-5'-hydroxy-1,1,4a,7,7',8a-hexamethyl-spiro[4,4b,5,6,7,9,10,10a-octahydro-3H-phenanthrene-8,2'-coumaran]-2-one |
| Wiley ID | 1373835 |