(1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

C74H107NO16 — CID 172982287

About (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

(1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (PubChem CID 172982287) has the molecular formula C74H107NO16 and a molecular weight of 1266.66 g/mol. Its IUPAC name is (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.

Molecular Properties

• Compound Name: (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
• PubChem CID: 172982287
• Molecular Formula: C74H107NO16
• Molecular Weight: 1266.66 g/mol
• Exact Mass: 1265.76
• IUPAC Name: (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
• SMILES: CO/N=C1\C[C@]2(CC3CC(C/C=C(\C)CC(C)/C=C/C=C4\COC5C(O)C(C)=C[C@@H](C(=O)O3)C45O)O2)O[C@H](/C(C)=C/C(C)C)C1C.COC1C(C)=CC2C(=O)OC3CC(C/C=C(\C)CC(C)/C=C/C=C4\COC1C42O)OC1(C3)CC(O)C(C)C(/C(C)=C/C(C)C)O1
• InChI: InChI=1S/C37H53NO8.C37H54O8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41;1-21(2)14-24(5)32-26(7)31(38)19-36(45-32)18-29-17-28(44-36)13-12-23(4)15-22(3)10-9-11-27-20-42-34-33(41-8)25(6)16-30(35(39)43-29)37(27,34)40/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3;9-12,14,16,21-22,26,28-34,38,40H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+;10-9+,23-12+,24-14+,27-11+/t22?,26?,28?,29?,30-,32?,33+,34?,36-,37?;/m0./s1
• InChIKey: FWRWTKFYDKYJHK-GCFDSOFNSA-N
• XLogP: 11.47
• TPSA: 219.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1266.66
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The IUPAC name of (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (CID 172982287) is (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.

What is the SMILES notation for (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The canonical SMILES for (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one is CO/N=C1\C[C@]2(CC3CC(C/C=C(\C)CC(C)/C=C/C=C4\COC5C(O)C(C)=C[C@@H](C(=O)O3)C45O)O2)O[C@H](/C(C)=C/C(C)C)C1C.COC1C(C)=CC2C(=O)OC3CC(C/C=C(\C)CC(C)/C=C/C=C4\COC1C42O)OC1(C3)CC(O)C(C)C(/C(C)=C/C(C)C)O1.

What is the InChIKey of (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The InChIKey is FWRWTKFYDKYJHK-GCFDSOFNSA-N. The full InChI is InChI=1S/C37H53NO8.C37H54O8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41;1-21(2)14-24(5)32-26(7)31(38)19-36(45-32)18-29-17-28(44-36)13-12-23(4)15-22(3)10-9-11-27-20-42-34-33(41-8)25(6)16-30(35(39)43-29)37(27,34)40/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3;9-12,14,16,21-22,26,28-34,38,40H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+;10-9+,23-12+,24-14+,27-11+/t22?,26?,28?,29?,30-,32?,33+,34?,36-,37?;/m0./s1.

What are the key properties of (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

(1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one has a molecular weight of 1266.66 g/mol, XLogP of 11.47, 6 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4'E,6R,6'S,10E,14E,16E)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(10E,14E,16E)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one is sourced from PubChem (CID 172982287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).