| SpectraBase Compound ID | 1V6O3pcWL5H |
|---|---|
| InChI | InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16,18-19,21-22,24,30-31H,8-15H2,1-6H3,(H,32,33)/t16-,18+,19+,21-,22-,24-,26+,27-,28-,29+/m1/s1 |
| InChIKey | WLYRQWGKOGSNCG-ODQQLTQQSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C29H44O4 |
| Exact Mass | 456.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3t2vgyHhzsa |
|---|---|
| Name | Goreishic acid III |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O4 |
| InChI | InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16,18-19,21-22,24,30-31H,8-15H2,1-6H3,(H,32,33)/t16-,18+,19+,21-,22-,24-,26+,27-,28-,29+/m1/s1 |
| InChIKey | WLYRQWGKOGSNCG-ODQQLTQQSA-N |
| Molecular Weight | 456.667 g/mol |
| SMILES | OC([C@]12C(C3=CC[C@@]4([C@@]5([C@]([C@@]([C@]([C@@](C5)(O)[H])(O)[H])(C)[H])(CC[C@]4([C@@]3(CC1)C)C)[H])C)[H])=C([C@@](CC2)(C)[H])C)=O |
| SPLASH | splash10-0f8i-0390200000-47ca507286e56c2652f0 |
| Source of Spectrum | E1-38-944-3 |
| Synonyms | (2R,4aS,6aR,6aS,6bR,8aS,9S,10R,11R,12aS)-1,2,6a,6b,9,12a-hexamethyl-10,11-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,9,10,11,12,13-tetradecahydropicene-4a-carboxylic acid (2R,4aS,6aR,6aS,6bR,8aS,9S,10R,11R,12aS)-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,9,10,11,12,13-tetradecahydropicene-4a-carboxylic acid |
| Wiley ID | 1518276 |