1-[2-[6-[(3E,5E,7E,15E)-2,13-dimethoxy-22-(3-methoxy-4-oxidanyl-cyclohexyl)-3,9,11,15,17,21-hexamethyl-14-oxidanyl-12,18-bis(oxidanylidene)docosa-3,5,7,15-tetraenyl]-3-methyl-2-oxidanyl-oxan-2-yl]-2-oxidanylidene-ethanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-[6-[(3E,5E,7E,15E)-2,13-dimethoxy-22-(3-methoxy-4-oxidanyl-cyclohexyl)-3,9,11,15,17,21-hexamethyl-14-oxidanyl-12,18-bis(oxidanylidene)docosa-3,5,7,15-tetraenyl]-3-methyl-2-oxidanyl-oxan-2-yl]-2-oxidanylidene-ethanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-[2-hydroxy-6-[(3E,5E,7E,15E)-14-hydroxy-22-(4-hydroxy-3-methoxy-cyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-docosa-3,5,7,15-tetraenyl]-3-methyl-tetrahydropyran-2-yl]-2-oxo-acetyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[2-hydroxy-6-[(3E,5E,7E,15E)-14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15-tetraenyl]-3-methyl-2-oxanyl]-1,2-dioxoethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-hydroxy-6-[(3E,5E,7E,15E)-14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15-tetraenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-[2-hydroxy-6-[(3E,5E,7E,15E)-14-hydroxy-22-(4-hydroxy-3-methoxy-cyclohexyl)-12,18-diketo-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-docosa-3,5,7,15-tetraenyl]-3-methyl-tetrahydropyran-2-yl]-2-keto-acetyl]pipecolinic acid Formula: C51H81NO13 MolecularWeight: 916.18774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC1(C(=O)C(=O)N2CCCCC2C(=O)O)O)CC(C(=CC=CC=CC(C)CC(C)C(=O)C(C(C(=CC(C)C(=O)CCC(C)CC3CCC(C(C3)OC)O)C)O)OC)C)OC

Isomeric SMILES

CC1CCC(OC1(C(=O)C(=O)N2CCCCC2C(=O)O)O)CC(/C(=C/C=C/C=C/C(C)CC(C)C(=O)C(C(/C(=C/C(C)C(=O)CCC(C)CC3CCC(C(C3)OC)O)/C)O)OC)/C)OC

InChI

InChI=1S/C51H81NO13/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60/h11-13,16-17,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18-27,29-30H2,1-10H3,(H,59,60)/b13-11+,16-12+,33-17+,36-28+