methyl 2-[2-[(3aS,5R,6R,6aS)-6-[(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-oxidanyl-propoxy]ethanoate

Systemtic Name: methyl 2-[2-[(3aS,5R,6R,6aS)-6-[(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-oxidanyl-propoxy]ethanoate Openeye Name: methyl 2-[2-[(3aS,5R,6R,6aS)-6-[(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-hydroxy-propoxy]acetate CAS Name: 2-[2-[(3aS,5R,6R,6aS)-6-[(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-hydroxypropoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(3aS,5R,6R,6aS)-6-[(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-hydroxypropoxy]acetate Traditional Name: 2-[2-[(3aS,5R,6R,6aS)-6-[(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-hydroxy-propoxy]acetic acid methyl ester Formula: C33H50O8 MolecularWeight: 574.7453

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)C(C=CC1C(CC2C1CC(=C2)C(CO)COCC(=O)OC)OC3CCCCO3)OC4CCCCO4

Isomeric SMILES

CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)C(CO)COCC(=O)OC)OC3CCCCO3)OC4CCCCO4

InChI

InChI=1S/C33H50O8/c1-4-5-10-23(2)29(40-32-11-6-8-15-38-32)14-13-27-28-18-24(26(20-34)21-37-22-31(35)36-3)17-25(28)19-30(27)41-33-12-7-9-16-39-33/h13-14,17,23,25-30,32-34H,6-12,15-16,18-22H2,1-3H3/b14-13+/t23?,25-,26?,27+,28-,29+,30+,32?,33?/m0/s1