[(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-7-methyl-4,7,8-tris(oxidanyl)-2,6-dioxaspiro[2.5]octan-5-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-[(3R,4R,5R,7S,8R)-7-methyl-4,7,8-tris(oxidanyl)-2,6-dioxaspiro[2.5]octan-5-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)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-2,6-dioxaspiro[2.5]octan-5-yl]penta-2,4-dienyl]tetrahydropyran-3-yl]amino]-1-methyl-4-oxo-but-2-enyl] acetate CAS Name: acetic acid [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-2,6-dioxaspiro[2.5]octan-5-yl]penta-2,4-dienyl]-3-oxanyl]amino]-5-oxopent-3-en-2-yl] ester IUPAC Name: [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-2,6-dioxaspiro[2.5]octan-5-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate Traditional Name: acetic acid [(Z,1S)-4-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-2,6-dioxaspiro[2.5]octan-5-yl]penta-2,4-dienyl]tetrahydropyran-3-yl]amino]-4-keto-1-methyl-but-2-enyl] ester Formula: C27H41NO9 MolecularWeight: 523.61574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(OC1CC=C(C)C=CC2C(C3(CO3)C(C(O2)(C)O)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@]3(CO3)[C@H]([C@@](O2)(C)O)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C

InChI

InChI=1S/C27H41NO9/c1-15(8-11-22-24(31)27(14-34-27)25(32)26(6,33)37-22)7-10-21-16(2)13-20(18(4)36-21)28-23(30)12-9-17(3)35-19(5)29/h7-9,11-12,16-18,20-22,24-25,31-33H,10,13-14H2,1-6H3,(H,28,30)/b11-8+,12-9-,15-7+/t16-,17-,18+,20+,21-,22+,24+,25-,26-,27+/m0/s1