| SpectraBase Compound ID | DUG4d6x6EQe |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-22(2)12-9-13-23(3)14-10-21-30(8,32)27(31)18-16-25-24(4)15-17-26-28(5,6)19-11-20-29(25,26)7/h12,14,24-26,32H,9-11,13,15-21H2,1-8H3/b23-14+/t24-,25-,26-,29+,30-/m0/s1 |
| InChIKey | MFNBGEZPQKAUDK-DQNNUDQLSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4IG7aH0uuB |
|---|---|
| Name | (E)-(S)-4-Hydroxy-4,8,12-trimethyl-1-((1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-decahydro-naphthalen-1-yl)-trideca-7,11-dien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-22(2)12-9-13-23(3)14-10-21-30(8,32)27(31)18-16-25-24(4)15-17-26-28(5,6)19-11-20-29(25,26)7/h12,14,24-26,32H,9-11,13,15-21H2,1-8H3/b23-14+/t24-,25-,26-,29+,30-/m0/s1 |
| InChIKey | MFNBGEZPQKAUDK-DQNNUDQLSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | O[C@](C(CC[C@@]1([C@@]2([C@](C(C)(C)CCC2)(CC[C@@]1(C)[H])[H])C)[H])=O)(CC\C=C\(CCC=C(C)C)C)C |
| SPLASH | splash10-00ou-6950000000-68b0256a2af7c15b3a1e |
| Source of Spectrum | F5-3-3136-28 |
| Synonyms | 1-[(4' S)-3'-Oxo-4',8',12'-tetramethyl-4'-hydroxytrideca-7',11'-dienyl]-2,5,5,9-tetramethyl-perhydronaphthalene (S,E)-4-hydroxy-4,8,12-trimethyl-1-((1S,2S,4aS,8aR)-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)trideca-7,11-dien-3-one (4S,7E)-1-[(1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-4-hydroxy-4,8,12-trimethyl-3-trideca-7,11-dienone (4S,7E)-1-[(1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-4-hydroxy-4,8,12-trimethyltrideca-7,11-dien-3-one (4S,7E)-1-[(1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-4,8,12-trimethyl-4-oxidanyl-trideca-7,11-dien-3-one |
| Wiley ID | 1732449 |