| SpectraBase Compound ID | 2jXcQtUP6ux |
|---|---|
| InChI | InChI=1S/C25H42O3/c1-16(12-14-26)7-9-18-17(2)8-10-20-24(18,5)15-19(27)22-23(3,4)13-11-21(28)25(20,22)6/h12,18-22,26-28H,2,7-11,13-15H2,1,3-6H3/b16-12-/t18-,19+,20?,21-,22?,24+,25+/m1/s1 |
| InChIKey | XUMCBOHALFECLC-LAKLIWDYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C25H42O3 |
| Exact Mass | 390.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Y70AW2YIuW |
|---|---|
| Name | (17Z)-Cheilantha-13(24),17-dien-1.beta.,6.alpha.,19-triol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O3 |
| InChI | InChI=1S/C25H42O3/c1-16(12-14-26)7-9-18-17(2)8-10-20-24(18,5)15-19(27)22-23(3,4)13-11-21(28)25(20,22)6/h12,18-22,26-28H,2,7-11,13-15H2,1,3-6H3/b16-12-/t18-,19+,20?,21-,22?,24+,25+/m1/s1 |
| InChIKey | XUMCBOHALFECLC-LAKLIWDYSA-N |
| Molecular Weight | 390.608 g/mol |
| SMILES | O[C@]1(C[C@@]2(C([C@]3([C@@](CCC(C13)(C)C)(O)[H])C)CCC([C@]2(CC\C(=C/CO)C)[H])=C)C)[H] |
| SPLASH | splash10-0kg9-0797000000-5af59f12f9a5e77d6809 |
| Source of Spectrum | E1-44-698-2 |
| Synonyms | (4R,4aR,8R,8aS,10S)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a,8a-tetramethyl-7-methylene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-4,10-diol (4R,4aR,8R,8aS,10S)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-4,10-diol (4R,4aR,8R,8aS,10S)-1,1,4a,8a-tetramethyl-7-methylidene-8-[(Z)-3-methyl-5-oxidanyl-pent-3-enyl]-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-4,10-diol |
| Wiley ID | 1553382 |