(2Z,6S,10S,13R,15S)-3,11,11,13,15-pentamethyl-6-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,10-bis(oxidanyl)-7,17-dioxabicyclo[12.2.1]heptadec-2-ene-8,12-dione

Systemtic Name: (2Z,6S,10S,13R,15S)-3,11,11,13,15-pentamethyl-6-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,10-bis(oxidanyl)-7,17-dioxabicyclo[12.2.1]heptadec-2-ene-8,12-dione Openeye Name: (2Z,6S,10S,13R,15S)-4,10-dihydroxy-3,11,11,13,15-pentamethyl-6-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-7,17-dioxabicyclo[12.2.1]heptadec-2-ene-8,12-dione CAS Name: (2Z,6S,10S,13R,15S)-4,10-dihydroxy-3,11,11,13,15-pentamethyl-6-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-7,17-dioxabicyclo[12.2.1]heptadec-2-ene-8,12-dione IUPAC Name: (2Z,6S,10S,13R,15S)-4,10-dihydroxy-3,11,11,13,15-pentamethyl-6-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,17-dioxabicyclo[12.2.1]heptadec-2-ene-8,12-dione Traditional Name: (2Z,6S,10S,13R,15S)-4,10-dihydroxy-3,11,11,13,15-pentamethyl-6-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-7,17-dioxabicyclo[12.2.1]heptadec-2-ene-8,12-quinone Formula: C27H39NO6S MolecularWeight: 505.66666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C=C(C(CC(OC(=O)CC(C(C(=O)C(C1O2)C)(C)C)O)C(=CC3=CSC(=N3)C)C)O)C

Isomeric SMILES

C[C@H]1CC2/C=C(\C(C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H](C1O2)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)O)/C

InChI

InChI=1S/C27H39NO6S/c1-14-9-20-10-16(3)25(33-20)17(4)26(32)27(6,7)23(30)12-24(31)34-22(11-21(14)29)15(2)8-19-13-35-18(5)28-19/h8-9,13,16-17,20-23,25,29-30H,10-12H2,1-7H3/b14-9-,15-8+/t16-,17+,20?,21?,22-,23-,25?/m0/s1