(4S,7R,8S,9S,13Z,15S,16S)-5,5,7,9,15-pentamethyl-16-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13Z,15S,16S)-5,5,7,9,15-pentamethyl-16-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13Z,15S,16S)-4,8-dihydroxy-5,5,7,9,15-pentamethyl-16-[(E)-1-methyl-2-(2-methyloxazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13Z,15S,16S)-4,8-dihydroxy-5,5,7,9,15-pentamethyl-16-[(E)-1-(2-methyl-4-oxazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13Z,15S,16S)-4,8-dihydroxy-5,5,7,9,15-pentamethyl-16-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,13Z,15S,16S)-4,8-dihydroxy-5,5,7,9,15-pentamethyl-16-[(E)-1-methyl-2-(2-methyloxazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C27H41NO6 MolecularWeight: 475.61754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC=CC(C(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=COC(=N2)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO6/c1-16-11-9-8-10-12-17(2)25(18(3)13-21-15-33-20(5)28-21)34-23(30)14-22(29)27(6,7)26(32)19(4)24(16)31/h10,12-13,15-17,19,22,24-25,29,31H,8-9,11,14H2,1-7H3/b12-10-,18-13+/t16-,17-,19+,22-,24-,25-/m0/s1