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

Systemtic Name: (4S,7R,8S,9S,13Z,15S,16S)-16-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-5,5,7,9,15-pentamethyl-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13Z,15S,16S)-4,8-dihydroxy-16-[(E)-2-[2-(hydroxymethyl)oxazol-4-yl]-1-methyl-vinyl]-5,5,7,9,15-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13Z,15S,16S)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-4-oxazolyl]prop-1-en-2-yl]-5,5,7,9,15-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13Z,15S,16S)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-oxazol-4-yl]prop-1-en-2-yl]-5,5,7,9,15-pentamethyl-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-methyloloxazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C27H41NO7 MolecularWeight: 491.61694

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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)CO)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)CO)/C)C

InChI

InChI=1S/C27H41NO7/c1-16-10-8-7-9-11-17(2)25(18(3)12-20-15-34-22(14-29)28-20)35-23(31)13-21(30)27(5,6)26(33)19(4)24(16)32/h9,11-12,15-17,19,21,24-25,29-30,32H,7-8,10,13-14H2,1-6H3/b11-9-,18-12+/t16-,17-,19+,21-,24-,25-/m0/s1