(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C30H45NO7S MolecularWeight: 563.7458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)CC3OCCO3

Isomeric SMILES

C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/CC3OCCO3

InChI

InChI=1S/C30H45NO7S/c1-18-8-7-9-22(15-27-36-12-13-37-27)10-11-24(19(2)14-23-17-39-21(4)31-23)38-26(33)16-25(32)30(5,6)29(35)20(3)28(18)34/h10,14,17-18,20,24-25,27-28,32,34H,7-9,11-13,15-16H2,1-6H3/b19-14+,22-10+/t18-,20+,24-,25-,28-/m0/s1