7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one

C49H78O17 — CID 75163105

About 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one

7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one (PubChem CID 75163105) has the molecular formula C49H78O17 and a molecular weight of 939.15 g/mol. Its IUPAC name is 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one.

Molecular Properties

• Compound Name: 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one
• PubChem CID: 75163105
• Molecular Formula: C49H78O17
• Molecular Weight: 939.15 g/mol
• Exact Mass: 938.52
• IUPAC Name: 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one
• SMILES: COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CC6=CCC78OC(C)C9CCC(=O)C9(C)C(CC7C6(C)CC5O)O8)CC4OC)CC3OC)CC2OC)OC(C)C1O
• InChI: InChI=1S/C49H78O17/c1-23-29-12-13-37(51)48(29,7)38-21-36-47(6)22-30(50)31(16-28(47)14-15-49(36,65-23)66-38)61-39-18-33(54-9)44(25(3)58-39)63-41-20-35(56-11)46(27(5)60-41)64-42-19-34(55-10)45(26(4)59-42)62-40-17-32(53-8)43(52)24(2)57-40/h14,23-27,29-36,38-46,50,52H,12-13,15-22H2,1-11H3
• InChIKey: XGXGFHACFAONSX-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 186.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.15
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one?

The IUPAC name of 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one (CID 75163105) is 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one.

What is the SMILES notation for 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one?

The canonical SMILES for 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one is COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CC6=CCC78OC(C)C9CCC(=O)C9(C)C(CC7C6(C)CC5O)O8)CC4OC)CC3OC)CC2OC)OC(C)C1O.

What is the InChIKey of 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one?

The InChIKey is XGXGFHACFAONSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H78O17/c1-23-29-12-13-37(51)48(29,7)38-21-36-47(6)22-30(50)31(16-28(47)14-15-49(36,65-23)66-38)61-39-18-33(54-9)44(25(3)58-39)63-41-20-35(56-11)46(27(5)60-41)64-42-19-34(55-10)45(26(4)59-42)62-40-17-32(53-8)43(52)24(2)57-40/h14,23-27,29-36,38-46,50,52H,12-13,15-22H2,1-11H3.

What are the key properties of 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one?

7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one has a molecular weight of 939.15 g/mol, XLogP of 4.48, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one is sourced from PubChem (CID 75163105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).