(1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol

C24H36O7 — CID 86574469

IUPAC(1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol
SMILESCOC1=C(OC)[C@@H]2C(=CC1OC)C[C@](C)(O)[C@@H](C)CC1=C[C@@H](OC)C(OC)=C(OC)[C@@H]12
InChIInChI=1S/C24H36O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,16-19,25H,9,12H2,1-8H3/t13-,16+,17?,18-,19+,24-/m0/s1
InChIKeySZKOFHQULAARMR-RGOKOKNWSA-N
MW436.55 g/mol
LogP3.32
Rot. Bonds6

About (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol

(1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol (PubChem CID 86574469) has the molecular formula C24H36O7 and a molecular weight of 436.55 g/mol. Its IUPAC name is (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol.

Molecular Properties

Compound Name(1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol
PubChem CID86574469
Molecular FormulaC24H36O7
Molecular Weight436.55 g/mol
Exact Mass436.25
IUPAC Name(1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol
SMILESCOC1=C(OC)[C@@H]2C(=CC1OC)C[C@](C)(O)[C@@H](C)CC1=C[C@@H](OC)C(OC)=C(OC)[C@@H]12
InChIInChI=1S/C24H36O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,16-19,25H,9,12H2,1-8H3/t13-,16+,17?,18-,19+,24-/m0/s1
InChIKeySZKOFHQULAARMR-RGOKOKNWSA-N
XLogP3.32
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol 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 (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol?
The IUPAC name of (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol (CID 86574469) is (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol.
What is the SMILES notation for (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol?
The canonical SMILES for (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol is COC1=C(OC)[C@@H]2C(=CC1OC)C[C@](C)(O)[C@@H](C)CC1=C[C@@H](OC)C(OC)=C(OC)[C@@H]12.
What is the InChIKey of (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol?
The InChIKey is SZKOFHQULAARMR-RGOKOKNWSA-N. The full InChI is InChI=1S/C24H36O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,16-19,25H,9,12H2,1-8H3/t13-,16+,17?,18-,19+,24-/m0/s1.
What are the key properties of (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol?
(1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol has a molecular weight of 436.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol is sourced from PubChem (CID 86574469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).