[(5R,6S)-5-[(2S)-5,12-bis(oxidanylidene)-1,4-dioxacyclododec-8-en-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] but-3-enoate

Systemtic Name: [(5R,6S)-5-[(2S)-5,12-bis(oxidanylidene)-1,4-dioxacyclododec-8-en-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] but-3-enoate Openeye Name: [(5R,6S)-5-[(2S)-5,12-dioxo-1,4-dioxacyclododec-8-en-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] but-3-enoate CAS Name: 3-butenoic acid [(5R,6S)-5-[(2S)-5,12-dioxo-1,4-dioxacyclododec-8-en-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(5R,6S)-5-[(2S)-5,12-dioxo-1,4-dioxacyclododec-8-en-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] but-3-enoate Traditional Name: but-3-enoic acid [(5R,6S)-5-[(2S)-5,12-diketo-1,4-dioxacyclododec-8-en-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C21H28O9 MolecularWeight: 424.44162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C3COC(=O)CCC=CCCC(=O)O3)OC(=O)CC=C)C

Isomeric SMILES

CC1(OC2[C@H]([C@H](OC2O1)[C@@H]3COC(=O)CCC=CCCC(=O)O3)OC(=O)CC=C)C

InChI

InChI=1S/C21H28O9/c1-4-9-15(23)27-18-17(28-20-19(18)29-21(2,3)30-20)13-12-25-14(22)10-7-5-6-8-11-16(24)26-13/h4-6,13,17-20H,1,7-12H2,2-3H3/t13-,17+,18-,19?,20?/m0/s1