(1R,2R,3S,5S,6E,8S,9S,11R,12E,14S,15S,18E,20E,23R)-15-[(2S,3S,4S,8R,9R)-3,9-dimethoxy-4,8-dimethyl-7-oxidanylidene-undecan-2-yl]-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaene-17,27-dione

Systemtic Name: (1R,2R,3S,5S,6E,8S,9S,11R,12E,14S,15S,18E,20E,23R)-15-[(2S,3S,4S,8R,9R)-3,9-dimethoxy-4,8-dimethyl-7-oxidanylidene-undecan-2-yl]-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaene-17,27-dione Openeye Name: (1R,2R,3S,5S,6E,8S,9S,11R,12E,14S,15S,18E,20E,23R)-15-[(1S,2S,3S,7R,8R)-2,8-dimethoxy-1,3,7-trimethyl-6-oxo-decyl]-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaene-17,27-dione CAS Name: (1R,2R,3S,5S,6E,8S,9S,11R,12E,14S,15S,18E,20E,23R)-15-[(2S,3S,4S,8R,9R)-3,9-dimethoxy-4,8-dimethyl-7-oxoundecan-2-yl]-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaene-17,27-dione IUPAC Name: (1R,2R,3S,5S,6E,8S,9S,11R,12E,14S,15S,18E,20E,23R)-15-[(2S,3S,4S,8R,9R)-3,9-dimethoxy-4,8-dimethyl-7-oxoundecan-2-yl]-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaene-17,27-dione Traditional Name: (1R,2R,3S,5S,6E,8S,9S,11R,12E,14S,15S,18E,20E,23R)-15-[(1S,2S,3S,7R,8R)-6-keto-2,8-dimethoxy-1,3,7-trimethyl-decyl]-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaene-17,27-quinone Formula: C51H84O12 MolecularWeight: 889.20546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)CCC(C)C(C(C)C1C(C=CC(CC(C(C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=CC(=O)O1)C)OC)C)OC)OC)C)OC)OC)C)OC)OC

Isomeric SMILES

CC[C@H]([C@@H](C)C(=O)CC[C@H](C)[C@@H]([C@H](C)[C@@H]1[C@H](/C=C/[C@@H](C[C@@H]([C@H](/C=C/[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O1)/C)OC)C)OC)OC)C)OC)OC)C)OC)OC

InChI

InChI=1S/C51H84O12/c1-16-44(58-12)36(6)43(52)25-22-34(4)50(61-15)38(8)51-35(5)21-24-40(55-9)30-45(59-13)33(3)20-23-41(56-10)31-46(60-14)37(7)47-28-39(29-49(54)62-47)27-42(57-11)26-32(2)18-17-19-48(53)63-51/h17-21,23-24,29,33-38,40-42,44-47,50-51H,16,22,25-28,30-31H2,1-15H3/b19-17+,23-20+,24-21+,32-18+/t33-,34-,35-,36-,37+,38-,40-,41+,42+,44+,45-,46-,47+,50-,51-/m0/s1