2-[(2R,3S,3aS,8bS)-3-[(3S)-3-cyclohexyl-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-7-yl]ethanoic acid

Systemtic Name: 2-[(2R,3S,3aS,8bS)-3-[(3S)-3-cyclohexyl-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-7-yl]ethanoic acid Openeye Name: 2-[(2R,3S,3aS,8bS)-3-[(3S)-3-cyclohexyl-3-hydroxy-prop-1-ynyl]-2-hydroxy-1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-7-yl]acetic acid CAS Name: 2-[(2R,3S,3aS,8bS)-3-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-2-hydroxy-1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-7-yl]acetic acid IUPAC Name: 2-[(2R,3S,3aS,8bS)-3-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-2-hydroxy-1,2,3,3a,4,8b-hexahydrocyclopenta[a]inden-7-yl]acetic acid Traditional Name: 2-[(2R,3S,3aS,8bS)-3-[(3S)-3-cyclohexyl-3-hydroxy-prop-1-ynyl]-2-hydroxy-1,2,3,3a,4,8b-hexahydrocyclopent[a]inden-7-yl]acetic acid Formula: C23H28O4 MolecularWeight: 368.46602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC2C(CC3C2CC4=C3C=C(C=C4)CC(=O)O)O)O

Isomeric SMILES

C1CCC(CC1)[C@@H](C#C[C@H]2[C@@H](C[C@H]3[C@@H]2CC4=C3C=C(C=C4)CC(=O)O)O)O

InChI

InChI=1S/C23H28O4/c24-21(15-4-2-1-3-5-15)9-8-17-19-12-16-7-6-14(11-23(26)27)10-18(16)20(19)13-22(17)25/h6-7,10,15,17,19-22,24-25H,1-5,11-13H2,(H,26,27)/t17-,19-,20-,21-,22-/m1/s1