[(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate

C24H36O5 — CID 102064353

IUPAC[(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate
SMILESCC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)C)[C@H]1O[C@@H]2C/C(C)=C\CC[C@@]1(C)OC(C)=O
InChIInChI=1S/C24H36O5/c1-13(2)20-19(27-16(5)25)12-15(4)21-18-11-14(3)9-8-10-24(7,29-17(6)26)23(28-18)22(20)21/h9,12-13,18-23H,8,10-11H2,1-7H3/b14-9-/t18-,19-,20+,21-,22-,23-,24-/m1/s1
InChIKeyOKHREEBDBYKLKA-AHVUDZSWSA-N
MW404.55 g/mol
LogP4.60
Rot. Bonds3

About [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate

[(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate (PubChem CID 102064353) has the molecular formula C24H36O5 and a molecular weight of 404.55 g/mol. Its IUPAC name is [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate.

Molecular Properties

Compound Name[(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate
PubChem CID102064353
Molecular FormulaC24H36O5
Molecular Weight404.55 g/mol
Exact Mass404.26
IUPAC Name[(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate
SMILESCC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)C)[C@H]1O[C@@H]2C/C(C)=C\CC[C@@]1(C)OC(C)=O
InChIInChI=1S/C24H36O5/c1-13(2)20-19(27-16(5)25)12-15(4)21-18-11-14(3)9-8-10-24(7,29-17(6)26)23(28-18)22(20)21/h9,12-13,18-23H,8,10-11H2,1-7H3/b14-9-/t18-,19-,20+,21-,22-,23-,24-/m1/s1
InChIKeyOKHREEBDBYKLKA-AHVUDZSWSA-N
XLogP4.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

Incensole acetate
CID 53386731
[(1R,2R,3R,7R,8R,11S,14R)-14-acetyloxy-14-methyl-6,10-dimethylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl] acetate
CID 46888463
[(1S,2S,3R,4R,7R,8S,10E,14R)-14-acetyloxy-3-(2-acetyloxypropan-2-yl)-6,10,14-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate
CID 14462938
Cladiellin
CID 44566634
(1R,2S)-1-((1R,4aS,11aR)-1-acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl)-4-methylpent-3-ene-1,2-diyl diacetate
CID 54585298
[(1R,2S,5R,7S,10E,13S)-1,5,10-trimethyl-13-propan-2-yl-6,16-dioxatricyclo[11.2.1.05,7]hexadec-10-en-2-yl] acetate
CID 134143020
[(1S,3R,5S,8E,12S,13R)-5,9,13-trimethyl-1-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-en-12-yl] acetate
CID 134152352
calicophirin B
CID 23427154
Astrogorgin
CID 44566631
[(1R,4E,7R,8S,9S,10R)-7,9-diacetyloxy-1-methyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-5-yl]methyl acetate
CID 44575372
[(2E)-2-[(6R,7S)-6-acetyloxy-7-(5-acetyloxy-4,8-dimethylnon-7-enyl)-7-methyloxepan-3-ylidene]ethyl] acetate
CID 44379336
[(1S,4aR,8S,8aR)-5-(2-methoxypropan-2-yl)-3,8-dimethyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-yl] acetate
CID 15923267

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate?
The IUPAC name of [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate (CID 102064353) is [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate.
What is the SMILES notation for [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate?
The canonical SMILES for [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate is CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)C)[C@H]1O[C@@H]2C/C(C)=C\CC[C@@]1(C)OC(C)=O.
What is the InChIKey of [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate?
The InChIKey is OKHREEBDBYKLKA-AHVUDZSWSA-N. The full InChI is InChI=1S/C24H36O5/c1-13(2)20-19(27-16(5)25)12-15(4)21-18-11-14(3)9-8-10-24(7,29-17(6)26)23(28-18)22(20)21/h9,12-13,18-23H,8,10-11H2,1-7H3/b14-9-/t18-,19-,20+,21-,22-,23-,24-/m1/s1.
What are the key properties of [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate?
[(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate has a molecular weight of 404.55 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4S,7R,8R,10Z,14R)-14-acetyloxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-dien-4-yl] acetate is sourced from PubChem (CID 102064353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).