| SpectraBase Spectrum ID |
C0Chv49tXqk |
| Name |
(2R,3R)-1-[(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]-4-methyl-3-ethyl-2-hydroxy-2-phenylbutanedioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.271924319 u |
| Formula |
C29H38O5 |
| InChI |
InChI=1S/C29H38O5/c1-6-23(26(30)33-5)29(32,22-15-11-8-12-16-22)27(31)34-25-19-20(2)17-18-24(25)28(3,4)21-13-9-7-10-14-21/h7-16,20,23-25,32H,6,17-19H2,1-5H3/t20-,23+,24-,25-,29+/m1/s1 |
| InChIKey |
LDALSHOTPQWPED-GPNLTBIZSA-N |
| Molecular Weight |
466.618 g/mol |
| SMILES |
C([C@@]([C@](C(=O)OC)(CC)[H])(C=1C=CC=CC1)O)(O[C@]1([C@](C(C=2C=CC=CC2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O |
![(2R,3R)-1-[(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]-4-methyl-3-ethyl-2-hydroxy-2-phenylbutanedioate](/api/spectrum/C0Chv49tXqk/structure.png?h=300&w=458 "(2R,3R)-1-[(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]-4-methyl-3-ethyl-2-hydroxy-2-phenylbutanedioate")
