(2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene

C25H34O3 — CID 67616836

IUPAC(2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene
SMILESCC[C@@]12C=CC3(CC1)[C@@H]1CCC4=C(C5OCCOC5=C(OC)C4)[C@H]1CC[C@@]32C
InChIInChI=1S/C25H34O3/c1-4-24-9-11-25(12-10-24)18-6-5-16-15-19(26-3)21-22(28-14-13-27-21)20(16)17(18)7-8-23(24,25)2/h9,11,17-18,22H,4-8,10,12-15H2,1-3H3/t17-,18+,22?,23+,24+,25?/m0/s1
InChIKeyGODSGUOXAJFWQG-CXJXBISUSA-N
MW382.54 g/mol
LogP5.53
Rot. Bonds2

About (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene

(2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene (PubChem CID 67616836) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene.

Molecular Properties

Compound Name(2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene
PubChem CID67616836
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name(2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene
SMILESCC[C@@]12C=CC3(CC1)[C@@H]1CCC4=C(C5OCCOC5=C(OC)C4)[C@H]1CC[C@@]32C
InChIInChI=1S/C25H34O3/c1-4-24-9-11-25(12-10-24)18-6-5-16-15-19(26-3)21-22(28-14-13-27-21)20(16)17(18)7-8-23(24,25)2/h9,11,17-18,22H,4-8,10,12-15H2,1-3H3/t17-,18+,22?,23+,24+,25?/m0/s1
InChIKeyGODSGUOXAJFWQG-CXJXBISUSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene?
The IUPAC name of (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene (CID 67616836) is (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene.
What is the SMILES notation for (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene?
The canonical SMILES for (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene is CC[C@@]12C=CC3(CC1)[C@@H]1CCC4=C(C5OCCOC5=C(OC)C4)[C@H]1CC[C@@]32C.
What is the InChIKey of (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene?
The InChIKey is GODSGUOXAJFWQG-CXJXBISUSA-N. The full InChI is InChI=1S/C25H34O3/c1-4-24-9-11-25(12-10-24)18-6-5-16-15-19(26-3)21-22(28-14-13-27-21)20(16)17(18)7-8-23(24,25)2/h9,11,17-18,22H,4-8,10,12-15H2,1-3H3/t17-,18+,22?,23+,24+,25?/m0/s1.
What are the key properties of (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene?
(2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene has a molecular weight of 382.54 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,15S,18R,19S)-19-ethyl-7-methoxy-18-methyl-9,12-dioxahexacyclo[17.2.2.01,18.02,15.05,14.08,13]tricosa-5(14),7,20-triene is sourced from PubChem (CID 67616836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).