(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

C30H46O9 — CID 10370323

About (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (PubChem CID 10370323) has the molecular formula C30H46O9 and a molecular weight of 550.69 g/mol. Its IUPAC name is (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

Molecular Properties

• Compound Name: (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
• PubChem CID: 10370323
• Molecular Formula: C30H46O9
• Molecular Weight: 550.69 g/mol
• Exact Mass: 550.31
• IUPAC Name: (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
• SMILES: C[C@H]1[C@@H](OC[C@@]2(C)O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CCC2[C@@]35OO4)OC2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
• InChI: InChI=1S/C30H46O9/c1-16-7-9-21-18(3)23(32-24-29(21)19(16)11-13-27(5,34-24)36-38-29)31-15-26(4)22-10-8-17(2)20-12-14-28(6)35-25(33-26)30(20,22)39-37-28/h16-25H,7-15H2,1-6H3/t16-,17-,18-,19+,20+,21+,22?,23+,24?,25-,26-,27-,28-,29-,30-/m1/s1
• InChIKey: RPVOJEKMAVTVFM-XSZNSDQJSA-N
• XLogP: 5.22
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.69
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The IUPAC name of (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (CID 10370323) is (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

What is the SMILES notation for (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The canonical SMILES for (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is C[C@H]1[C@@H](OC[C@@]2(C)O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CCC2[C@@]35OO4)OC2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.

What is the InChIKey of (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

The InChIKey is RPVOJEKMAVTVFM-XSZNSDQJSA-N. The full InChI is InChI=1S/C30H46O9/c1-16-7-9-21-18(3)23(32-24-29(21)19(16)11-13-27(5,34-24)36-38-29)31-15-26(4)22-10-8-17(2)20-12-14-28(6)35-25(33-26)30(20,22)39-37-28/h16-25H,7-15H2,1-6H3/t16-,17-,18-,19+,20+,21+,22?,23+,24?,25-,26-,27-,28-,29-,30-/m1/s1.

What are the key properties of (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?

(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane has a molecular weight of 550.69 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-10-[[(1R,4S,5R,9S,11R,12R)-1,5,9-trimethyl-10,13,14,15-tetraoxatetracyclo[9.3.1.04,12.08,12]pentadecan-9-yl]methoxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is sourced from PubChem (CID 10370323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).