[(1E,3R,4R,6R,7Z,9Z)-3-(2-benzamidoethyl)-1-[(2S,3S)-3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-3,6-bis(oxidanyl)-10-[(1R,3S)-3-oxidanylcyclohexyl]deca-1,7,9-trien-4-yl] dihydrogen phosphate

Systemtic Name: [(1E,3R,4R,6R,7Z,9Z)-3-(2-benzamidoethyl)-1-[(2S,3S)-3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-3,6-bis(oxidanyl)-10-[(1R,3S)-3-oxidanylcyclohexyl]deca-1,7,9-trien-4-yl] dihydrogen phosphate Openeye Name: [(1R,3R,4Z,6Z)-1-[(E,1R)-1-(2-benzamidoethyl)-3-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-allyl]-3-hydroxy-7-[(1R,3S)-3-hydroxycyclohexyl]hepta-4,6-dienyl] dihydrogen phosphate CAS Name: [(1E,3R,4R,6R,7Z,9Z)-3-(2-benzamidoethyl)-1-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxy-10-[(1R,3S)-3-hydroxycyclohexyl]deca-1,7,9-trien-4-yl] dihydrogen phosphate IUPAC Name: [(1E,3R,4R,6R,7Z,9Z)-3-(2-benzamidoethyl)-1-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxy-10-[(1R,3S)-3-hydroxycyclohexyl]deca-1,7,9-trien-4-yl] dihydrogen phosphate Traditional Name: [(1R,3R,4Z,6Z)-1-[(E,1R)-1-(2-benzamidoethyl)-3-[(2S,3S)-3-ethyl-6-keto-2,3-dihydropyran-2-yl]-1-hydroxy-allyl]-3-hydroxy-7-[(1R,3S)-3-hydroxycyclohexyl]hepta-4,6-dienyl] dihydrogen phosphate Formula: C32H44NO10P MolecularWeight: 633.666221

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=CC(=O)OC1C=CC(CCNC(=O)C2=CC=CC=C2)(C(CC(C=CC=CC3CCCC(C3)O)O)OP(=O)(O)O)O

Isomeric SMILES

CC[C@H]1C=CC(=O)O[C@H]1/C=C/[C@](CCNC(=O)C2=CC=CC=C2)([C@@H](C[C@H](/C=C\C=C/[C@@H]3CCC[C@@H](C3)O)O)OP(=O)(O)O)O

InChI

InChI=1S/C32H44NO10P/c1-2-24-15-16-30(36)42-28(24)17-18-32(38,19-20-33-31(37)25-11-4-3-5-12-25)29(43-44(39,40)41)22-27(35)13-7-6-9-23-10-8-14-26(34)21-23/h3-7,9,11-13,15-18,23-24,26-29,34-35,38H,2,8,10,14,19-22H2,1H3,(H,33,37)(H2,39,40,41)/b9-6-,13-7-,18-17+/t23-,24+,26+,27+,28+,29-,32+/m1/s1