[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol

C149H216O46 — CID 165089604

About [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol

[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol (PubChem CID 165089604) has the molecular formula C149H216O46 and a molecular weight of 2743.32 g/mol. Its IUPAC name is [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol.

Molecular Properties

• Compound Name: [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol
• PubChem CID: 165089604
• Molecular Formula: C149H216O46
• Molecular Weight: 2743.32 g/mol
• Exact Mass: 2741.46
• IUPAC Name: [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol
• SMILES: C=C1CC(O)C[C@@H]2C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]3C/C(=C/C(=O)OCc4ccccc4)C[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)/C=C/C=C/CCC)C[C@H]([C@@H](C)O)O1)O3)O2.C=C1CC(O)C[C@@H]2C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]3C/C(=C/CC)C[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)/C=C/C=C/CCC)C[C@H]([C@@H](C)O)O1)O3)O2.C=C1C[C@H]2C[C@]3(O)O[C@H](CC(O)CC(=C)OCC[C@@H]4C/C(=C\C(=O)OC)[C@H](OC(=O)C#CCCCCC)[C@@](O)(O4)C(C)(C)/C=C/[C@@H](C1)O2)C[C@H](OC(C)=O)C3(C)C.CCO.O=C=O
• InChI: InChI=1S/C54H74O16.C48H72O14.C44H64O13.C2H6O.CO2/c1-10-11-12-13-17-20-47(58)68-50-39(28-48(59)63-9)27-42-30-45(35(3)55)65-34(2)23-40(57)29-43-31-46(66-36(4)56)52(7,8)53(61,69-43)32-44-25-38(26-49(60)64-33-37-18-15-14-16-19-37)24-41(67-44)21-22-51(5,6)54(50,62)70-42;1-11-13-14-15-16-18-42(52)60-44-34(25-43(53)56-10)24-37-27-40(31(4)49)57-30(3)21-35(51)26-38-28-41(58-32(5)50)46(8,9)47(54,61-38)29-39-23-33(17-12-2)22-36(59-39)19-20-45(6,7)48(44,55)62-37;1-10-11-12-13-14-15-38(47)55-40-31(24-39(48)51-9)23-34-17-19-52-29(3)22-32(46)25-35-26-37(53-30(4)45)42(7,8)43(49,56-35)27-36-21-28(2)20-33(54-36)16-18-41(5,6)44(40,50)57-34;1-2-3;2-1-3/h12-22,26,28,35,40-46,50,55,57,61-62H,2,10-11,23-25,27,29-33H2,1,3-9H3;14-20,25,31,35-41,44,49,51,54-55H,3,11-13,21-24,26-29H2,1-2,4-10H3;16,18,24,32-37,40,46,49-50H,2-3,10-13,17,19-23,25-27H2,1,4-9H3;3H,2H2,1H3;/b13-12+,20-17+,22-21+,38-26+,39-28+;15-14+,18-16+,20-19+,33-17+,34-25+;18-16+,31-24+;;/t35-,40?,41+,42+,43-,44+,45-,46+,50+,53+,54-;31-,35?,36+,37+,38-,39+,40-,41+,44+,47+,48-;32?,33-,34+,35+,36-,37-,40-,43-,44+;;/m110../s1
• InChIKey: WMBSZDJSWQFOQL-RTANNNOMSA-N
• XLogP: 18.40
• TPSA: 650.66 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 46
• Rotatable Bonds: 26
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2743.32
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol?

The IUPAC name of [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol (CID 165089604) is [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol.

What is the SMILES notation for [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol?

The canonical SMILES for [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol is C=C1CC(O)C[C@@H]2C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]3C/C(=C/C(=O)OCc4ccccc4)C[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)/C=C/C=C/CCC)C[C@H]([C@@H](C)O)O1)O3)O2.C=C1CC(O)C[C@@H]2C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]3C/C(=C/CC)C[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)/C=C/C=C/CCC)C[C@H]([C@@H](C)O)O1)O3)O2.C=C1C[C@H]2C[C@]3(O)O[C@H](CC(O)CC(=C)OCC[C@@H]4C/C(=C\C(=O)OC)[C@H](OC(=O)C#CCCCCC)[C@@](O)(O4)C(C)(C)/C=C/[C@@H](C1)O2)C[C@H](OC(C)=O)C3(C)C.CCO.O=C=O.

What is the InChIKey of [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol?

The InChIKey is WMBSZDJSWQFOQL-RTANNNOMSA-N. The full InChI is InChI=1S/C54H74O16.C48H72O14.C44H64O13.C2H6O.CO2/c1-10-11-12-13-17-20-47(58)68-50-39(28-48(59)63-9)27-42-30-45(35(3)55)65-34(2)23-40(57)29-43-31-46(66-36(4)56)52(7,8)53(61,69-43)32-44-25-38(26-49(60)64-33-37-18-15-14-16-19-37)24-41(67-44)21-22-51(5,6)54(50,62)70-42;1-11-13-14-15-16-18-42(52)60-44-34(25-43(53)56-10)24-37-27-40(31(4)49)57-30(3)21-35(51)26-38-28-41(58-32(5)50)46(8,9)47(54,61-38)29-39-23-33(17-12-2)22-36(59-39)19-20-45(6,7)48(44,55)62-37;1-10-11-12-13-14-15-38(47)55-40-31(24-39(48)51-9)23-34-17-19-52-29(3)22-32(46)25-35-26-37(53-30(4)45)42(7,8)43(49,56-35)27-36-21-28(2)20-33(54-36)16-18-41(5,6)44(40,50)57-34;1-2-3;2-1-3/h12-22,26,28,35,40-46,50,55,57,61-62H,2,10-11,23-25,27,29-33H2,1,3-9H3;14-20,25,31,35-41,44,49,51,54-55H,3,11-13,21-24,26-29H2,1-2,4-10H3;16,18,24,32-37,40,46,49-50H,2-3,10-13,17,19-23,25-27H2,1,4-9H3;3H,2H2,1H3;/b13-12+,20-17+,22-21+,38-26+,39-28+;15-14+,18-16+,20-19+,33-17+,34-25+;18-16+,31-24+;;/t35-,40?,41+,42+,43-,44+,45-,46+,50+,53+,54-;31-,35?,36+,37+,38-,39+,40-,41+,44+,47+,48-;32?,33-,34+,35+,36-,37-,40-,43-,44+;;/m110../s1.

What are the key properties of [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol?

[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol has a molecular weight of 2743.32 g/mol, XLogP of 18.40, 26 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-(2-oxo-2-phenylmethoxyethylidene)-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-methylidene-5-propylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate;[(1S,3S,7R,8E,11S,12S,13E,15S,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-13-(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-5,19-dimethylidene-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] oct-2-ynoate;carbon dioxide;ethanol is sourced from PubChem (CID 165089604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).