| SpectraBase Compound ID | Bp9jlUA3Tr5 |
|---|---|
| InChI | InChI=1S/C27H40O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-22,24,28,30H,7-11,13-15H2,1-5H3/t17-,19+,20-,21+,22+,24+,26+,27-/m1/s1 |
| InChIKey | JQKVYCFGMHRVRG-BYJKJZODSA-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 | DxonYRGq57s |
|---|---|
| Name | Gelliusterol D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O3 |
| InChI | InChI=1S/C27H40O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-22,24,28,30H,7-11,13-15H2,1-5H3/t17-,19+,20-,21+,22+,24+,26+,27-/m1/s1 |
| InChIKey | JQKVYCFGMHRVRG-BYJKJZODSA-N |
| Molecular Weight | 412.614 g/mol |
| SMILES | OC(C#CC[C@]([C@]1(CC[C@]2([C@@]3(C(C=C4[C@](CC[C@@](C4)(O)[H])([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H])(C)[H])(C)C |
| SPLASH | splash10-05no-9611000000-8cc2619669ac69253dbe |
| Source of Spectrum | G4-64-744-5 |
| Synonyms | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(1R)-5-hydroxy-1,5-dimethyl-hex-3-ynyl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
| Wiley ID | 1609033 |