2-[2-[(3aR,4R,5R,6aS)-4-[(E,3S)-4-methyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]-5-(oxan-2-yloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-3-phenylmethoxy-propoxy]ethanoic acid

Systemtic Name: 2-[2-[(3aR,4R,5R,6aS)-4-[(E,3S)-4-methyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]-5-(oxan-2-yloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-3-phenylmethoxy-propoxy]ethanoic acid Openeye Name: 2-[2-[(3aR,4R,5R,6aS)-4-[(E,3S)-4-methyl-3-tetrahydropyran-2-yloxy-oct-1-en-6-ynyl]-5-tetrahydropyran-2-yloxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-3-benzyloxy-propoxy]acetic acid CAS Name: 2-[2-[(3aR,4R,5R,6aS)-4-[(E,3S)-4-methyl-3-(2-oxanyloxy)oct-1-en-6-ynyl]-5-(2-oxanyloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-3-phenylmethoxypropoxy]acetic acid IUPAC Name: 2-[2-[(3aR,4R,5R,6aS)-4-[(E,3S)-4-methyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]-5-(oxan-2-yloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-3-phenylmethoxypropoxy]acetic acid Traditional Name: 2-[2-[(3aR,4R,5R,6aS)-4-[(E,3S)-4-methyl-3-tetrahydropyran-2-yloxy-oct-1-en-6-ynyl]-5-tetrahydropyran-2-yloxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-3-benzoxy-propoxy]acetic acid Formula: C39H54O8 MolecularWeight: 650.84126

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)C(C=CC1C(CC2C1C=C(C2)C(COCC3=CC=CC=C3)COCC(=O)O)OC4CCCCO4)OC5CCCCO5

Isomeric SMILES

CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C=C(C2)C(COCC3=CC=CC=C3)COCC(=O)O)OC4CCCCO4)OC5CCCCO5

InChI

InChI=1S/C39H54O8/c1-3-4-12-28(2)35(46-38-15-8-10-19-44-38)18-17-33-34-22-30(21-31(34)23-36(33)47-39-16-9-11-20-45-39)32(26-43-27-37(40)41)25-42-24-29-13-6-5-7-14-29/h5-7,13-14,17-18,22,28,31-36,38-39H,8-12,15-16,19-21,23-27H2,1-2H3,(H,40,41)/b18-17+/t28?,31-,32?,33+,34-,35+,36+,38?,39?/m0/s1