| SpectraBase Compound ID | 3DG2EYYkWZh |
|---|---|
| InChI | InChI=1S/C27H40O3/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/h13-14,17,20-22,28-29H,7-12,15H2,1-6H3 |
| InChIKey | JTFQPSRKDMDRKT-UHFFFAOYSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C27H40O3 |
| Exact Mass | 412.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H4v8CsC2cN3 |
|---|---|
| Name | Stypodiol |
| CAS Registry Number | 75657-53-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O3 |
| InChI | InChI=1S/C27H40O3/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/h13-14,17,20-22,28-29H,7-12,15H2,1-6H3 |
| InChIKey | JTFQPSRKDMDRKT-UHFFFAOYSA-N |
| Molecular Weight | 412.614 g/mol |
| SMILES | OC1CCC2(C3C(C4(Cc5cc(cc(c5O4)C)O)C(CC3)C)(CCC2C1(C)C)C)C |
| SPLASH | splash10-0a4i-5940000000-622a21a1896bd9edf680 |
| Source of Spectrum | J-46-26-0 |
| Synonyms | Epistypodiol 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]-5,7'-diol |
| Wiley ID | 1374646 |