| SpectraBase Spectrum ID |
KgdMstwtlfC |
| Name |
4-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethyl]benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38O4 |
| InChI |
InChI=1S/C27H38O4/c1-3-4-5-18(2)14-23(28)12-13-24-25-16-20(15-22(25)17-26(24)29)7-6-19-8-10-21(11-9-19)27(30)31/h8-13,15,18,22-26,28-29H,3-7,14,16-17H2,1-2H3,(H,30,31)/b13-12+/t18-,22?,23+,24+,25?,26+/m0/s1 |
| InChIKey |
VECVFTDQQWABTG-XGDYSPOJSA-N |
| Molecular Weight |
426.597 g/mol |
| SMILES |
O[C@](\C=C\[C@@]1(C2C(C[C@]1(O)[H])C=C(C2)CCc1ccc(C(=O)O)cc1)[H])(C[C@](CCCC)(C)[H])[H] |
| SPLASH |
splash10-000i-0912000000-266b0ce96dbe6d143792 |
| Source of Spectrum |
F-51-5540-15 |
| Synonyms |
4-[2-[(3aS,5R,6R,6aS)-6-[(E,3S,5S)-5-methyl-3-oxidanyl-non-1-enyl]-5-oxidanyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethyl]benzoic acid |
| Wiley ID |
791928 |
![4-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethyl]benzoic acid](/api/spectrum/KgdMstwtlfC/structure.png?h=300&w=458 "4-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethyl]benzoic acid")
