[(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

C148H177N3O39 — CID 90977661

About [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

[(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (PubChem CID 90977661) has the molecular formula C148H177N3O39 and a molecular weight of 2622.03 g/mol. Its IUPAC name is [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.

Molecular Properties

• Compound Name: [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• PubChem CID: 90977661
• Molecular Formula: C148H177N3O39
• Molecular Weight: 2622.03 g/mol
• Exact Mass: 2620.20
• IUPAC Name: [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)(C(OC(=O)c4ccccc4)C12)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)(C(OC(=O)c4ccccc4)C12)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)(C(OC(=O)c4ccccc4)C12)C3(C)C
• InChI: InChI=1S/C52H61NO13.C51H59NO14.C45H57NO12/c1-29-26-37-51(28-61-37,65-32(4)54)41-43(64-46(58)35-24-18-13-19-25-35)52(60)27-36(62-44(56)31(3)39(33-20-14-11-15-21-33)53-47(59)66-48(5,6)7)30(2)38(49(52,8)9)40(42(55)50(29,41)10)63-45(57)34-22-16-12-17-23-34;1-28-34(62-43(56)29(2)38(31-19-13-10-14-20-31)52-46(59)66-47(4,5)6)26-51(60)42(64-45(58)33-23-17-12-18-24-33)40-49(9,35(54)25-36-50(40,27-61-36)65-30(3)53)41(55)39(37(28)48(51,7)8)63-44(57)32-21-15-11-16-22-32;1-24-21-31-44(23-54-31,57-27(4)47)35-37(56-39(51)29-19-15-12-16-20-29)45(53)22-30(25(2)32(42(45,8)9)34(48)36(49)43(24,35)10)55-38(50)26(3)33(28-17-13-11-14-18-28)46-40(52)58-41(5,6)7/h11-25,29,31,36-37,39-41,43,60H,26-28H2,1-10H3,(H,53,59);10-24,29,34-36,38-40,42,54,60H,25-27H2,1-9H3,(H,52,59);11-20,24,26,30-31,33-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t29-,31+,36-,37+,39+,40+,41?,43?,50+,51-,52+;29-,34+,35+,36-,38-,39-,40?,42?,49-,50+,51-;24-,26+,30-,31+,33+,34+,35?,37?,43+,44-,45+/m010/s1
• InChIKey: BVEBDLWVUUYVKQ-ZFDCULITSA-N
• XLogP: 19.88
• TPSA: 584.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 28
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.03
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate?

The IUPAC name of [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CID 90977661) is [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.

What is the SMILES notation for [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate?

The canonical SMILES for [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate is CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)(C(OC(=O)c4ccccc4)C12)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)(C(OC(=O)c4ccccc4)C12)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)(C(OC(=O)c4ccccc4)C12)C3(C)C.

What is the InChIKey of [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate?

The InChIKey is BVEBDLWVUUYVKQ-ZFDCULITSA-N. The full InChI is InChI=1S/C52H61NO13.C51H59NO14.C45H57NO12/c1-29-26-37-51(28-61-37,65-32(4)54)41-43(64-46(58)35-24-18-13-19-25-35)52(60)27-36(62-44(56)31(3)39(33-20-14-11-15-21-33)53-47(59)66-48(5,6)7)30(2)38(49(52,8)9)40(42(55)50(29,41)10)63-45(57)34-22-16-12-17-23-34;1-28-34(62-43(56)29(2)38(31-19-13-10-14-20-31)52-46(59)66-47(4,5)6)26-51(60)42(64-45(58)33-23-17-12-18-24-33)40-49(9,35(54)25-36-50(40,27-61-36)65-30(3)53)41(55)39(37(28)48(51,7)8)63-44(57)32-21-15-11-16-22-32;1-24-21-31-44(23-54-31,57-27(4)47)35-37(56-39(51)29-19-15-12-16-20-29)45(53)22-30(25(2)32(42(45,8)9)34(48)36(49)43(24,35)10)55-38(50)26(3)33(28-17-13-11-14-18-28)46-40(52)58-41(5,6)7/h11-25,29,31,36-37,39-41,43,60H,26-28H2,1-10H3,(H,53,59);10-24,29,34-36,38-40,42,54,60H,25-27H2,1-9H3,(H,52,59);11-20,24,26,30-31,33-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t29-,31+,36-,37+,39+,40+,41?,43?,50+,51-,52+;29-,34+,35+,36-,38-,39-,40?,42?,49-,50+,51-;24-,26+,30-,31+,33+,34+,35?,37?,43+,44-,45+/m010/s1.

What are the key properties of [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate?

[(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate has a molecular weight of 2622.03 g/mol, XLogP of 19.88, 28 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate is sourced from PubChem (CID 90977661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).