| SpectraBase Compound ID | FvGitDQyOJT |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-18(2)19(3)9-10-20(4)24-13-14-25-22(8-7-15-27(24,25)6)16-26(30)28(31)17-23(29)12-11-21(28)5/h9-10,16,18-20,23-26,29-31H,5,7-8,11-15,17H2,1-4,6H3/b10-9+,22-16+ |
| InChIKey | PCXXMOIVYABMQX-WQOGHSSVSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bk2CFzZ6LLH |
|---|---|
| Name | 9,10-Secoergosta-7,10(19),22-triene-3,5,6-triol, (3.beta.)- |
| CAS Registry Number | 56282-28-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-18(2)19(3)9-10-20(4)24-13-14-25-22(8-7-15-27(24,25)6)16-26(30)28(31)17-23(29)12-11-21(28)5/h9-10,16,18-20,23-26,29-31H,5,7-8,11-15,17H2,1-4,6H3/b10-9+,22-16+ |
| InChIKey | PCXXMOIVYABMQX-WQOGHSSVSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | OC(C1(CC(CCC1=C)O)O)\C=C\1C2CCC(C(\C=C\C(C(C)C)C)C)C2(CCC1)C |
| SPLASH | splash10-05rr-9601000000-c93c575f26096e446156 |
| Source of Spectrum | W-18-508-12 |
| Synonyms | (7E,22E)-9,10-Secoergosta-7,10,22-triene-3,5,6-triol 1-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-hydroxyethyl]-6-methylenecyclohexane-1,3-diol 1-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-hydroxyethyl]-6-methylidenecyclohexane-1,3-diol 1-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-oxidanyl-ethyl]-6-methylidene-cyclohexane-1,3-diol 1-[(2E)-2-[7a-methyl-1-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-hydroxy-ethyl]-6-methylene-cyclohexane-1,3-diol |
| Wiley ID | 1381761 |