Cystercorolide

C15H20O3 — CID 170989593

IUPAC(5aR,8aS,8bR)-4,7,7,8b-tetramethyl-5,5a,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,6-dione
SMILESCC1=C2C(=O)OC[C@@]2([C@H]3CC(C(=O)[C@@H]3C1)(C)C)C
InChIInChI=1S/C15H20O3/c1-8-5-9-10(6-14(2,3)12(9)16)15(4)7-18-13(17)11(8)15/h9-10H,5-7H2,1-4H3/t9-,10+,15-/m1/s1
InChIKeyKADYMSAQQLBLMV-HFBDOXOYSA-N
MW248.32 g/mol
LogP2.00
Rot. Bonds

About Cystercorolide

Cystercorolide (PubChem CID 170989593) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5aR,8aS,8bR)-4,7,7,8b-tetramethyl-5,5a,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,6-dione.

Molecular Properties

Compound NameCystercorolide
PubChem CID170989593
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5aR,8aS,8bR)-4,7,7,8b-tetramethyl-5,5a,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,6-dione
SMILESCC1=C2C(=O)OC[C@@]2([C@H]3CC(C(=O)[C@@H]3C1)(C)C)C
InChIInChI=1S/C15H20O3/c1-8-5-9-10(6-14(2,3)12(9)16)15(4)7-18-13(17)11(8)15/h9-10H,5-7H2,1-4H3/t9-,10+,15-/m1/s1
InChIKeyKADYMSAQQLBLMV-HFBDOXOYSA-N
XLogP2.00
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity486

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Clavirolide B
CID 23426977
Clavirolide C
CID 23426978
Clavirolide D
CID 23426979
Clavulactone
CID 44567097
(4S,5S,8R,10E,13R)-8,11-dimethyl-5-prop-1-en-2-yl-14-oxatricyclo[11.2.1.04,8]hexadeca-1(16),10-dien-15-one
CID 15450497
(2'S,3aR,7R,7aS)-2',6-dimethyl-3-methylidenespiro[4,7a-dihydro-3aH-1-benzofuran-7,1'-cyclopentane]-2-one
CID 10105350
Tremulenolide A
CID 10376750
(4R,4aS,7R,7aR)-4,4a,7,7a-tetramethyl-6,7-dihydro-4H-cyclopenta[f][1]benzofuran-2,5-dione
CID 15276259
(1S,8S,9S,13R)-8,11,11-trimethyl-4,14-dioxatetracyclo[6.5.1.02,6.09,13]tetradec-2(6)-en-5-one
CID 15330797
Chondrosterin F
CID 139586293
ethyl (1R,3aR,7aS)-1,3a,4,7a-tetramethyl-6-oxo-1,2,3,7-tetrahydroindene-5-carboxylate
CID 166635279
Rufuslactone
CID 85085974

Frequently Asked Questions

What is the IUPAC name of Cystercorolide?
The IUPAC name of Cystercorolide (CID 170989593) is (5aR,8aS,8bR)-4,7,7,8b-tetramethyl-5,5a,8,8a-tetrahydro-1H-cyclopenta[e][2]benzofuran-3,6-dione.
What is the SMILES notation for Cystercorolide?
The canonical SMILES for Cystercorolide is CC1=C2C(=O)OC[C@@]2([C@H]3CC(C(=O)[C@@H]3C1)(C)C)C.
What is the InChIKey of Cystercorolide?
The InChIKey is KADYMSAQQLBLMV-HFBDOXOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-5-9-10(6-14(2,3)12(9)16)15(4)7-18-13(17)11(8)15/h9-10H,5-7H2,1-4H3/t9-,10+,15-/m1/s1.
What are the key properties of Cystercorolide?
Cystercorolide has a molecular weight of 248.32 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Cystercorolide is sourced from PubChem (CID 170989593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).