Cespihypotin T

C19H28O4 — CID 25147575

IUPAC(1R,7E,10S,11S)-10,11-dihydroxy-8,15,15-trimethyl-4-methylidenebicyclo[9.3.1]pentadec-7-ene-6,12-dione
SMILESC/C/1=C\C(=O)CC(=C)CC[C@@H]2CCC(=O)[C@](C2(C)C)([C@H](C1)O)O
InChIInChI=1S/C19H28O4/c1-12-5-6-14-7-8-16(21)19(23,18(14,3)4)17(22)11-13(2)10-15(20)9-12/h10,14,17,22-23H,1,5-9,11H2,2-4H3/b13-10+/t14-,17+,19-/m1/s1
InChIKeyBGLFCTUQGKZUGQ-WFHDAKLFSA-N
MW320.40 g/mol
LogP1.60
Rot. Bonds

About Cespihypotin T

Cespihypotin T (PubChem CID 25147575) has the molecular formula C19H28O4 and a molecular weight of 320.40 g/mol. Its IUPAC name is (1R,7E,10S,11S)-10,11-dihydroxy-8,15,15-trimethyl-4-methylidenebicyclo[9.3.1]pentadec-7-ene-6,12-dione.

Molecular Properties

Compound NameCespihypotin T
PubChem CID25147575
Molecular FormulaC19H28O4
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name(1R,7E,10S,11S)-10,11-dihydroxy-8,15,15-trimethyl-4-methylidenebicyclo[9.3.1]pentadec-7-ene-6,12-dione
SMILESC/C/1=C\C(=O)CC(=C)CC[C@@H]2CCC(=O)[C@](C2(C)C)([C@H](C1)O)O
InChIInChI=1S/C19H28O4/c1-12-5-6-14-7-8-16(21)19(23,18(14,3)4)17(22)11-13(2)10-15(20)9-12/h10,14,17,22-23H,1,5-9,11H2,2-4H3/b13-10+/t14-,17+,19-/m1/s1
InChIKeyBGLFCTUQGKZUGQ-WFHDAKLFSA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity558

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze Cespihypotin T 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 Cespihypotin T?
The IUPAC name of Cespihypotin T (CID 25147575) is (1R,7E,10S,11S)-10,11-dihydroxy-8,15,15-trimethyl-4-methylidenebicyclo[9.3.1]pentadec-7-ene-6,12-dione.
What is the SMILES notation for Cespihypotin T?
The canonical SMILES for Cespihypotin T is C/C/1=C\C(=O)CC(=C)CC[C@@H]2CCC(=O)[C@](C2(C)C)([C@H](C1)O)O.
What is the InChIKey of Cespihypotin T?
The InChIKey is BGLFCTUQGKZUGQ-WFHDAKLFSA-N. The full InChI is InChI=1S/C19H28O4/c1-12-5-6-14-7-8-16(21)19(23,18(14,3)4)17(22)11-13(2)10-15(20)9-12/h10,14,17,22-23H,1,5-9,11H2,2-4H3/b13-10+/t14-,17+,19-/m1/s1.
What are the key properties of Cespihypotin T?
Cespihypotin T has a molecular weight of 320.40 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Cespihypotin T is sourced from PubChem (CID 25147575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).