(1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione

C37H46O7 — CID 25208607

About (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione

(1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione (PubChem CID 25208607) has the molecular formula C37H46O7 and a molecular weight of 602.77 g/mol. Its IUPAC name is (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione.

Molecular Properties

• Compound Name: (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione
• PubChem CID: 25208607
• Molecular Formula: C37H46O7
• Molecular Weight: 602.77 g/mol
• Exact Mass: 602.32
• IUPAC Name: (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione
• SMILES: CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1C=CC[C@@H]3C(C)(C)OC4(CC=C(C)C(=O)O4)[C@@]31O2
• InChI: InChI=1S/C37H46O7/c1-21(2)11-9-12-23(5)16-18-25-30(38)26(17-15-22(3)4)33-29(31(25)39)32(40)27-13-10-14-28-35(7,8)44-36(37(27,28)42-33)20-19-24(6)34(41)43-36/h10-11,13,15-16,19,27-28,38-39H,9,12,14,17-18,20H2,1-8H3/b23-16+/t27-,28+,36?,37-/m0/s1
• InChIKey: XPCRYGMJVOHYOG-OEZWMBTRSA-N
• XLogP: 7.75
• TPSA: 102.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.77
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione?

The IUPAC name of (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione (CID 25208607) is (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione.

What is the SMILES notation for (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione?

The canonical SMILES for (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione is CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1C=CC[C@@H]3C(C)(C)OC4(CC=C(C)C(=O)O4)[C@@]31O2.

What is the InChIKey of (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione?

The InChIKey is XPCRYGMJVOHYOG-OEZWMBTRSA-N. The full InChI is InChI=1S/C37H46O7/c1-21(2)11-9-12-23(5)16-18-25-30(38)26(17-15-22(3)4)33-29(31(25)39)32(40)27-13-10-14-28-35(7,8)44-36(37(27,28)42-33)20-19-24(6)34(41)43-36/h10-11,13,15-16,19,27-28,38-39H,9,12,14,17-18,20H2,1-8H3/b23-16+/t27-,28+,36?,37-/m0/s1.

What are the key properties of (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione?

(1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione has a molecular weight of 602.77 g/mol, XLogP of 7.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,10R,14R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-5',15,15-trimethyl-4-(3-methylbut-2-enyl)spiro[2,16-dioxatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,11-tetraene-17,2'-3H-pyran]-6',9-dione is sourced from PubChem (CID 25208607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).