[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate

C154H227N3O27 — CID 159042179

IUPAC[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate
SMILESCCCCCc1cc(OC(=O)C(C)(CO)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)CN(C)C)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)CN)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)COCCOCCOCCOC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)OCCCCN)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)[C@H](O)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
InChIInChI=1S/C30H46O7.C26H39NO4.C26H38O5.C25H37NO3.C24H34O5.C23H33NO3/c1-6-7-8-9-23-19-26(36-28(31)21-35-17-16-34-15-14-33-13-12-32-5)29-24-18-22(2)10-11-25(24)30(3,4)37-27(29)20-23;1-5-6-7-10-19-16-22(30-25(28)29-14-9-8-13-27)24-20-15-18(2)11-12-21(20)26(3,4)31-23(24)17-19;1-6-7-8-9-18-13-21(30-24(29)26(5,15-27)16-28)23-19-12-17(2)10-11-20(19)25(3,4)31-22(23)14-18;1-7-8-9-10-18-14-21(28-23(27)16-26(5)6)24-19-13-17(2)11-12-20(19)25(3,4)29-22(24)15-18;1-5-6-7-8-16-12-20(28-23(27)19(26)14-25)22-17-11-15(2)9-10-18(17)24(3,4)29-21(22)13-16;1-5-6-7-8-16-12-19(26-21(25)14-24)22-17-11-15(2)9-10-18(17)23(3,4)27-20(22)13-16/h18-20,24-25H,6-17,21H2,1-5H3;15-17,20-21H,5-14,27H2,1-4H3;12-14,19-20,27-28H,6-11,15-16H2,1-5H3;13-15,19-20H,7-12,16H2,1-6H3;11-13,17-19,25-26H,5-10,14H2,1-4H3;11-13,17-18H,5-10,14,24H2,1-4H3/t24-,25-;20-,21-;2*19-,20-;17-,18-,19-;17-,18-/m111111/s1
InChIKeyJWEWNKZSAHLAMN-PKVNNNMXSA-N
MW2552.50 g/mol
LogP31.52
Rot. Bonds53

About [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate

[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate (PubChem CID 159042179) has the molecular formula C154H227N3O27 and a molecular weight of 2552.50 g/mol. Its IUPAC name is [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Name[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate
PubChem CID159042179
Molecular FormulaC154H227N3O27
Molecular Weight2552.50 g/mol
Exact Mass2550.65
IUPAC Name[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate
SMILESCCCCCc1cc(OC(=O)C(C)(CO)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)CN(C)C)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)CN)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)COCCOCCOCCOC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)OCCCCN)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)[C@H](O)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
InChIInChI=1S/C30H46O7.C26H39NO4.C26H38O5.C25H37NO3.C24H34O5.C23H33NO3/c1-6-7-8-9-23-19-26(36-28(31)21-35-17-16-34-15-14-33-13-12-32-5)29-24-18-22(2)10-11-25(24)30(3,4)37-27(29)20-23;1-5-6-7-10-19-16-22(30-25(28)29-14-9-8-13-27)24-20-15-18(2)11-12-21(20)26(3,4)31-23(24)17-19;1-6-7-8-9-18-13-21(30-24(29)26(5,15-27)16-28)23-19-12-17(2)10-11-20(19)25(3,4)31-22(23)14-18;1-7-8-9-10-18-14-21(28-23(27)16-26(5)6)24-19-13-17(2)11-12-20(19)25(3,4)29-22(24)15-18;1-5-6-7-8-16-12-20(28-23(27)19(26)14-25)22-17-11-15(2)9-10-18(17)24(3,4)29-21(22)13-16;1-5-6-7-8-16-12-19(26-21(25)14-24)22-17-11-15(2)9-10-18(17)23(3,4)27-20(22)13-16/h18-20,24-25H,6-17,21H2,1-5H3;15-17,20-21H,5-14,27H2,1-4H3;12-14,19-20,27-28H,6-11,15-16H2,1-5H3;13-15,19-20H,7-12,16H2,1-6H3;11-13,17-19,25-26H,5-10,14H2,1-4H3;11-13,17-18H,5-10,14,24H2,1-4H3/t24-,25-;20-,21-;2*19-,20-;17-,18-,19-;17-,18-/m111111/s1
InChIKeyJWEWNKZSAHLAMN-PKVNNNMXSA-N
XLogP31.52
TPSA395.53 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds53
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002552.50
LogP ≤ 531.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate (CID 159042179) is [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate is CCCCCc1cc(OC(=O)C(C)(CO)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)CN(C)C)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)CN)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)COCCOCCOCCOC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)OCCCCN)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.CCCCCc1cc(OC(=O)[C@H](O)CO)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.
What is the InChIKey of [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate?
The InChIKey is JWEWNKZSAHLAMN-PKVNNNMXSA-N. The full InChI is InChI=1S/C30H46O7.C26H39NO4.C26H38O5.C25H37NO3.C24H34O5.C23H33NO3/c1-6-7-8-9-23-19-26(36-28(31)21-35-17-16-34-15-14-33-13-12-32-5)29-24-18-22(2)10-11-25(24)30(3,4)37-27(29)20-23;1-5-6-7-10-19-16-22(30-25(28)29-14-9-8-13-27)24-20-15-18(2)11-12-21(20)26(3,4)31-23(24)17-19;1-6-7-8-9-18-13-21(30-24(29)26(5,15-27)16-28)23-19-12-17(2)10-11-20(19)25(3,4)31-22(23)14-18;1-7-8-9-10-18-14-21(28-23(27)16-26(5)6)24-19-13-17(2)11-12-20(19)25(3,4)29-22(24)15-18;1-5-6-7-8-16-12-20(28-23(27)19(26)14-25)22-17-11-15(2)9-10-18(17)24(3,4)29-21(22)13-16;1-5-6-7-8-16-12-19(26-21(25)14-24)22-17-11-15(2)9-10-18(17)23(3,4)27-20(22)13-16/h18-20,24-25H,6-17,21H2,1-5H3;15-17,20-21H,5-14,27H2,1-4H3;12-14,19-20,27-28H,6-11,15-16H2,1-5H3;13-15,19-20H,7-12,16H2,1-6H3;11-13,17-19,25-26H,5-10,14H2,1-4H3;11-13,17-18H,5-10,14,24H2,1-4H3/t24-,25-;20-,21-;2*19-,20-;17-,18-,19-;17-,18-/m111111/s1.
What are the key properties of [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate?
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate has a molecular weight of 2552.50 g/mol, XLogP of 31.52, 53 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-aminoacetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-aminobutyl carbonate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] (2R)-2,3-dihydroxypropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 159042179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).