[(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(5S,7R,8S)-5-methyl-5,8-bis(oxidanyl)-6-oxaspiro[2.5]octan-7-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate

Systemtic Name: [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(5S,7R,8S)-5-methyl-5,8-bis(oxidanyl)-6-oxaspiro[2.5]octan-7-yl]penta-2,4-dienyl]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-[(5S,7R,8S)-5,8-dihydroxy-5-methyl-6-oxaspiro[2.5]octan-7-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-[(5S,7R,8S)-5,8-dihydroxy-5-methyl-6-oxaspiro[2.5]octan-7-yl]-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-[(5S,7R,8S)-5,8-dihydroxy-5-methyl-6-oxaspiro[2.5]octan-7-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-[(5S,7R,8S)-5,8-dihydroxy-5-methyl-6-oxaspiro[2.5]octan-7-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-tetrahydropyran-3-yl]amino]-4-keto-1-methyl-but-2-enyl] ester Formula: C28H43NO7 MolecularWeight: 505.64352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(OC1CC=C(C)C=CC2C(C3(CC3)CC(O2)(C)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](C3(CC3)C[C@@](O2)(C)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C

InChI

InChI=1S/C28H43NO7/c1-17(8-11-24-26(32)28(13-14-28)16-27(6,33)36-24)7-10-23-18(2)15-22(20(4)35-23)29-25(31)12-9-19(3)34-21(5)30/h7-9,11-12,18-20,22-24,26,32-33H,10,13-16H2,1-6H3,(H,29,31)/b11-8+,12-9-,17-7+/t18-,19-,20+,22+,23-,24+,26+,27-/m0/s1