(4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one

C139H158Cl4N2O36 — CID 157251602

IUPAC(4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
SMILESCC(=O)COc1cc(O)c2c(c1Cl)CC(=O)/C=C/CC/C=C/C[C@@H](C)OC2=O.CC(C)[C@@H]1CC2OC2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCC[C@@H]1CC2OC2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C/C=C/CC/C=C/C(=N/OCc2ccccc2)Cc2c(c(O)cc(O)c2C2CCCCO2)C(=O)O1.C[C@@H]1C/C=C/CC/C=C/C(=N\OCc2ccccc2)Cc2c(c(O)cc(O)c2C2CCCCO2)C(=O)O1.C[C@@H]1C[C@@H]2O[C@H]2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
InChIInChI=1S/2C30H35NO6.C21H23ClO6.2C20H23ClO6.C18H19ClO6/c2*1-21-12-6-3-2-4-9-15-23(31-36-20-22-13-7-5-8-14-22)18-24-28(27-16-10-11-17-35-27)25(32)19-26(33)29(24)30(34)37-21;1-13(23)12-27-18-11-17(25)19-16(20(18)22)10-15(24)9-7-5-3-4-6-8-14(2)28-21(19)26;1-10(2)16-9-17-15(26-17)6-4-3-5-11(22)7-12-18(20(25)27-16)13(23)8-14(24)19(12)21;1-2-5-12-9-17-16(27-17)7-4-3-6-11(22)8-13-18(20(25)26-12)14(23)10-15(24)19(13)21;1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2*3,5-9,13-15,19,21,27,32-33H,2,4,10-12,16-18,20H2,1H3;4,6-7,9,11,14,25H,3,5,8,10,12H2,1-2H3;3,5,8,10,15-17,23-24H,4,6-7,9H2,1-2H3;3,6,10,12,16-17,23-24H,2,4-5,7-9H2,1H3;2,4,8-9,14-15,21-22H,3,5-7H2,1H3/b6-3+,15-9+,31-23+;6-3+,15-9+,31-23-;6-4+,9-7+;5-3+;6-3+;4-2+/t2*21-,27?;14-;15?,16-,17?;12-,16?,17?;9-,14+,15+/m111011/s1
InChIKeyAWKHQZVUVRYWAM-WEWXJOBXSA-N
MW2574.58 g/mol
LogP26.72
Rot. Bonds14

About (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one

(4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one (PubChem CID 157251602) has the molecular formula C139H158Cl4N2O36 and a molecular weight of 2574.58 g/mol. Its IUPAC name is (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one.

Molecular Properties

Compound Name(4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
PubChem CID157251602
Molecular FormulaC139H158Cl4N2O36
Molecular Weight2574.58 g/mol
Exact Mass2570.93
IUPAC Name(4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
SMILESCC(=O)COc1cc(O)c2c(c1Cl)CC(=O)/C=C/CC/C=C/C[C@@H](C)OC2=O.CC(C)[C@@H]1CC2OC2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCC[C@@H]1CC2OC2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C/C=C/CC/C=C/C(=N/OCc2ccccc2)Cc2c(c(O)cc(O)c2C2CCCCO2)C(=O)O1.C[C@@H]1C/C=C/CC/C=C/C(=N\OCc2ccccc2)Cc2c(c(O)cc(O)c2C2CCCCO2)C(=O)O1.C[C@@H]1C[C@@H]2O[C@H]2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
InChIInChI=1S/2C30H35NO6.C21H23ClO6.2C20H23ClO6.C18H19ClO6/c2*1-21-12-6-3-2-4-9-15-23(31-36-20-22-13-7-5-8-14-22)18-24-28(27-16-10-11-17-35-27)25(32)19-26(33)29(24)30(34)37-21;1-13(23)12-27-18-11-17(25)19-16(20(18)22)10-15(24)9-7-5-3-4-6-8-14(2)28-21(19)26;1-10(2)16-9-17-15(26-17)6-4-3-5-11(22)7-12-18(20(25)27-16)13(23)8-14(24)19(12)21;1-2-5-12-9-17-16(27-17)7-4-3-6-11(22)8-13-18(20(25)26-12)14(23)10-15(24)19(13)21;1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2*3,5-9,13-15,19,21,27,32-33H,2,4,10-12,16-18,20H2,1H3;4,6-7,9,11,14,25H,3,5,8,10,12H2,1-2H3;3,5,8,10,15-17,23-24H,4,6-7,9H2,1-2H3;3,6,10,12,16-17,23-24H,2,4-5,7-9H2,1H3;2,4,8-9,14-15,21-22H,3,5-7H2,1H3/b6-3+,15-9+,31-23+;6-3+,15-9+,31-23-;6-4+,9-7+;5-3+;6-3+;4-2+/t2*21-,27?;14-;15?,16-,17?;12-,16?,17?;9-,14+,15+/m111011/s1
InChIKeyAWKHQZVUVRYWAM-WEWXJOBXSA-N
XLogP26.72
TPSA574.14 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds14
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002574.58
LogP ≤ 526.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?
The IUPAC name of (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one (CID 157251602) is (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one.
What is the SMILES notation for (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?
The canonical SMILES for (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one is CC(=O)COc1cc(O)c2c(c1Cl)CC(=O)/C=C/CC/C=C/C[C@@H](C)OC2=O.CC(C)[C@@H]1CC2OC2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCC[C@@H]1CC2OC2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C/C=C/CC/C=C/C(=N/OCc2ccccc2)Cc2c(c(O)cc(O)c2C2CCCCO2)C(=O)O1.C[C@@H]1C/C=C/CC/C=C/C(=N\OCc2ccccc2)Cc2c(c(O)cc(O)c2C2CCCCO2)C(=O)O1.C[C@@H]1C[C@@H]2O[C@H]2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.
What is the InChIKey of (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?
The InChIKey is AWKHQZVUVRYWAM-WEWXJOBXSA-N. The full InChI is InChI=1S/2C30H35NO6.C21H23ClO6.2C20H23ClO6.C18H19ClO6/c2*1-21-12-6-3-2-4-9-15-23(31-36-20-22-13-7-5-8-14-22)18-24-28(27-16-10-11-17-35-27)25(32)19-26(33)29(24)30(34)37-21;1-13(23)12-27-18-11-17(25)19-16(20(18)22)10-15(24)9-7-5-3-4-6-8-14(2)28-21(19)26;1-10(2)16-9-17-15(26-17)6-4-3-5-11(22)7-12-18(20(25)27-16)13(23)8-14(24)19(12)21;1-2-5-12-9-17-16(27-17)7-4-3-6-11(22)8-13-18(20(25)26-12)14(23)10-15(24)19(13)21;1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2*3,5-9,13-15,19,21,27,32-33H,2,4,10-12,16-18,20H2,1H3;4,6-7,9,11,14,25H,3,5,8,10,12H2,1-2H3;3,5,8,10,15-17,23-24H,4,6-7,9H2,1-2H3;3,6,10,12,16-17,23-24H,2,4-5,7-9H2,1H3;2,4,8-9,14-15,21-22H,3,5-7H2,1H3/b6-3+,15-9+,31-23+;6-3+,15-9+,31-23-;6-4+,9-7+;5-3+;6-3+;4-2+/t2*21-,27?;14-;15?,16-,17?;12-,16?,17?;9-,14+,15+/m111011/s1.
What are the key properties of (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?
(4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one has a molecular weight of 2574.58 g/mol, XLogP of 26.72, 14 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S,8S,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,11E)-16-chloro-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-(2-oxopropoxy)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one is sourced from PubChem (CID 157251602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).