(14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one

C23H38O5 — CID 58304661

IUPAC(14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one
SMILESCC1=CC(C)C2C(=O)O[C@@H](C)CCCC(O)C3OC(C)(C)OC3CCCC2C1
InChIInChI=1S/C23H38O5/c1-14-12-15(2)20-17(13-14)9-7-11-19-21(28-23(4,5)27-19)18(24)10-6-8-16(3)26-22(20)25/h12,15-21,24H,6-11,13H2,1-5H3/t15?,16-,17?,18?,19?,20?,21?/m0/s1
InChIKeyLLUPTCUHRZOOJH-FSKQPPNESA-N
MW394.55 g/mol
LogP4.37
Rot. Bonds

About (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one

(14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one (PubChem CID 58304661) has the molecular formula C23H38O5 and a molecular weight of 394.55 g/mol. Its IUPAC name is (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one.

Molecular Properties

Compound Name(14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one
PubChem CID58304661
Molecular FormulaC23H38O5
Molecular Weight394.55 g/mol
Exact Mass394.27
IUPAC Name(14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one
SMILESCC1=CC(C)C2C(=O)O[C@@H](C)CCCC(O)C3OC(C)(C)OC3CCCC2C1
InChIInChI=1S/C23H38O5/c1-14-12-15(2)20-17(13-14)9-7-11-19-21(28-23(4,5)27-19)18(24)10-6-8-16(3)26-22(20)25/h12,15-21,24H,6-11,13H2,1-5H3/t15?,16-,17?,18?,19?,20?,21?/m0/s1
InChIKeyLLUPTCUHRZOOJH-FSKQPPNESA-N
XLogP4.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one?
The IUPAC name of (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one (CID 58304661) is (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one.
What is the SMILES notation for (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one?
The canonical SMILES for (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one is CC1=CC(C)C2C(=O)O[C@@H](C)CCCC(O)C3OC(C)(C)OC3CCCC2C1.
What is the InChIKey of (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one?
The InChIKey is LLUPTCUHRZOOJH-FSKQPPNESA-N. The full InChI is InChI=1S/C23H38O5/c1-14-12-15(2)20-17(13-14)9-7-11-19-21(28-23(4,5)27-19)18(24)10-6-8-16(3)26-22(20)25/h12,15-21,24H,6-11,13H2,1-5H3/t15?,16-,17?,18?,19?,20?,21?/m0/s1.
What are the key properties of (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one?
(14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one has a molecular weight of 394.55 g/mol, XLogP of 4.37, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-10-hydroxy-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicos-19-en-16-one is sourced from PubChem (CID 58304661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).