[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-6-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate

Systemtic Name: [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-6-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate Openeye Name: [(Z,1S)-4-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4-dihydroxy-6-methoxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-tetrahydropyran-3-yl]amino]-1-methyl-4-oxo-but-2-enyl] acetate CAS Name: acetic acid [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4-dihydroxy-6-methoxy-6-methyl-2-oxanyl]-3-methylpenta-2,4-dienyl]-2,5-dimethyl-3-oxanyl]amino]-5-oxopent-3-en-2-yl] ester IUPAC Name: [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4-dihydroxy-6-methoxy-6-methyloxan-2-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate Traditional Name: acetic acid [(Z,1S)-4-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-4-(chloromethyl)-3,4-dihydroxy-6-methoxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-tetrahydropyran-3-yl]amino]-4-keto-1-methyl-but-2-enyl] ester Formula: C28H44ClNO8 MolecularWeight: 558.10386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(OC1CC=C(C)C=CC2C(C(CC(O2)(C)OC)(CCl)O)O)C)NC(=O)C=CC(C)OC(=O)C

Isomeric SMILES

C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@](C[C@@](O2)(C)OC)(CCl)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C

InChI

InChI=1S/C28H44ClNO8/c1-17(9-12-24-26(33)28(34,16-29)15-27(6,35-7)38-24)8-11-23-18(2)14-22(20(4)37-23)30-25(32)13-10-19(3)36-21(5)31/h8-10,12-13,18-20,22-24,26,33-34H,11,14-16H2,1-7H3,(H,30,32)/b12-9+,13-10-,17-8+/t18-,19-,20+,22+,23-,24+,26+,27-,28+/m0/s1