| SpectraBase Spectrum ID |
BKowKNY4R3z |
| Name |
3-Cyclohexene-1-carboxylic acid, 6-(hydroxymethyl)-4-methyl-2-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,6.alpha.)-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.145344078 u |
| Formula |
C24H25NO5S |
| InChI |
InChI=1S/C24H25NO5S/c1-15-7-9-18(10-8-15)31(29,30)25-13-21(19-5-3-4-6-22(19)25)20-12-16(2)11-17(14-26)23(20)24(27)28/h3-10,12-13,17,20,23,26H,11,14H2,1-2H3,(H,27,28)/t17-,20+,23+/m0/s1 |
| InChIKey |
JOXHVFMLPIKNJM-XTQVGHSUSA-N |
| Molecular Weight |
439.526 g/mol |
| SMILES |
C=1N(S(C=2C=CC(=CC2)C)(=O)=O)C2=C(C1[C@@]1([C@@]([C@](CO)(CC(=C1)C)[H])(C(=O)O)[H])[H])C=CC=C2 |
![3-Cyclohexene-1-carboxylic acid, 6-(hydroxymethyl)-4-methyl-2-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,6.alpha.)-(.+-.)-](/api/spectrum/BKowKNY4R3z/structure.png?h=300&w=458 "3-Cyclohexene-1-carboxylic acid, 6-(hydroxymethyl)-4-methyl-2-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,6.alpha.)-(.+-.)-")
