(1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol

C23H30O2 — CID 134906351

IUPAC(1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol
SMILESCOc1ccc2c(c1)CC[C@@]1(C)[C@]34C=C[C@](O)(CC3)[C@@]4(C)CC[C@]21C
InChIInChI=1S/C23H30O2/c1-19-9-10-21(3)22(11-13-23(21,24)14-12-22)20(19,2)8-7-16-15-17(25-4)5-6-18(16)19/h5-6,11,13,15,24H,7-10,12,14H2,1-4H3/t19-,20-,21+,22+,23+/m1/s1
InChIKeyGQNDHQMNAPETBD-VROINQGHSA-N
MW338.49 g/mol
LogP4.79
Rot. Bonds1

About (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol

(1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol (PubChem CID 134906351) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol.

Molecular Properties

Compound Name(1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol
PubChem CID134906351
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name(1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol
SMILESCOc1ccc2c(c1)CC[C@@]1(C)[C@]34C=C[C@](O)(CC3)[C@@]4(C)CC[C@]21C
InChIInChI=1S/C23H30O2/c1-19-9-10-21(3)22(11-13-23(21,24)14-12-22)20(19,2)8-7-16-15-17(25-4)5-6-18(16)19/h5-6,11,13,15,24H,7-10,12,14H2,1-4H3/t19-,20-,21+,22+,23+/m1/s1
InChIKeyGQNDHQMNAPETBD-VROINQGHSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol?
The IUPAC name of (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol (CID 134906351) is (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol.
What is the SMILES notation for (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol?
The canonical SMILES for (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol is COc1ccc2c(c1)CC[C@@]1(C)[C@]34C=C[C@](O)(CC3)[C@@]4(C)CC[C@]21C.
What is the InChIKey of (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol?
The InChIKey is GQNDHQMNAPETBD-VROINQGHSA-N. The full InChI is InChI=1S/C23H30O2/c1-19-9-10-21(3)22(11-13-23(21,24)14-12-22)20(19,2)8-7-16-15-17(25-4)5-6-18(16)19/h5-6,11,13,15,24H,7-10,12,14H2,1-4H3/t19-,20-,21+,22+,23+/m1/s1.
What are the key properties of (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol?
(1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol has a molecular weight of 338.49 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol is sourced from PubChem (CID 134906351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).