2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione

C25H30O7 — CID 163116017

IUPAC2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione
SMILESCC1Cc2c(c(O)cc3c2C(O)C2C4(C)C=CC(=O)C(C)(C)C4CC(O)C2(C)O3)C(=O)O1
InChIInChI=1S/C25H30O7/c1-11-8-12-18(22(30)31-11)13(26)9-14-19(12)20(29)21-24(4)7-6-16(27)23(2,3)15(24)10-17(28)25(21,5)32-14/h6-7,9,11,15,17,20-21,26,28-29H,8,10H2,1-5H3
InChIKeyYXQWJUBIVWMQKE-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.85
Rot. Bonds

About 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione

2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione (PubChem CID 163116017) has the molecular formula C25H30O7 and a molecular weight of 442.51 g/mol. Its IUPAC name is 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione.

Molecular Properties

Compound Name2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione
PubChem CID163116017
Molecular FormulaC25H30O7
Molecular Weight442.51 g/mol
Exact Mass442.20
IUPAC Name2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione
SMILESCC1Cc2c(c(O)cc3c2C(O)C2C4(C)C=CC(=O)C(C)(C)C4CC(O)C2(C)O3)C(=O)O1
InChIInChI=1S/C25H30O7/c1-11-8-12-18(22(30)31-11)13(26)9-14-19(12)20(29)21-24(4)7-6-16(27)23(2,3)15(24)10-17(28)25(21,5)32-14/h6-7,9,11,15,17,20-21,26,28-29H,8,10H2,1-5H3
InChIKeyYXQWJUBIVWMQKE-UHFFFAOYSA-N
XLogP2.85
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione?
The IUPAC name of 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione (CID 163116017) is 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione.
What is the SMILES notation for 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione?
The canonical SMILES for 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione is CC1Cc2c(c(O)cc3c2C(O)C2C4(C)C=CC(=O)C(C)(C)C4CC(O)C2(C)O3)C(=O)O1.
What is the InChIKey of 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione?
The InChIKey is YXQWJUBIVWMQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O7/c1-11-8-12-18(22(30)31-11)13(26)9-14-19(12)20(29)21-24(4)7-6-16(27)23(2,3)15(24)10-17(28)25(21,5)32-14/h6-7,9,11,15,17,20-21,26,28-29H,8,10H2,1-5H3.
What are the key properties of 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione?
2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione has a molecular weight of 442.51 g/mol, XLogP of 2.85, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione is sourced from PubChem (CID 163116017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).