| SpectraBase Compound ID | 45S3SmcAgn9 |
|---|---|
| InChI | InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3 |
| InChIKey | PVLHOJXLNBFHDX-UHFFFAOYSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C30H52O3 |
| Exact Mass | 460.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BhzadpIZfUB |
|---|---|
| Name | 4,4,8,10,14-Pentamethyl-17-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)gonane-3,12-diol |
| Alternate Name(s) | 4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyl-2-oxanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol 4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
| CAS Registry Number | 112791-34-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O3 |
| InChI | InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3 |
| InChIKey | PVLHOJXLNBFHDX-UHFFFAOYSA-N |
| Molecular Weight | 460.743 g/mol |
| SMILES | OC1CC2C(CCC3C2(CCC(C3(C)C)O)C)(C2(C1C(CC2)C1(CCCC(O1)(C)C)C)C)C |
| SPLASH | splash10-004i-4900000000-703553fc59562fdd73df |
| Source of Spectrum | NP-15-4065-0 |
| Wiley ID | 1112504 |