(1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one

C23H34O3 — CID 71045967

IUPAC(1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one
SMILESC[C@]12CC[C@H](O)C[C@@H]1CCC1C3CC[C@]45OC(=O)CCC4C[C@]35CCC12
InChIInChI=1S/C23H34O3/c1-21-9-6-16(24)12-14(21)2-4-17-18(21)7-10-22-13-15-3-5-20(25)26-23(15,22)11-8-19(17)22/h14-19,24H,2-13H2,1H3/t14-,15?,16-,17?,18?,19?,21-,22+,23-/m0/s1
InChIKeyAEAMWEGVMMGNCT-IIOYWMTGSA-N
MW358.52 g/mol
LogP4.47
Rot. Bonds

About (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one

(1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one (PubChem CID 71045967) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one.

Molecular Properties

Compound Name(1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one
PubChem CID71045967
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name(1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one
SMILESC[C@]12CC[C@H](O)C[C@@H]1CCC1C3CC[C@]45OC(=O)CCC4C[C@]35CCC12
InChIInChI=1S/C23H34O3/c1-21-9-6-16(24)12-14(21)2-4-17-18(21)7-10-22-13-15-3-5-20(25)26-23(15,22)11-8-19(17)22/h14-19,24H,2-13H2,1H3/t14-,15?,16-,17?,18?,19?,21-,22+,23-/m0/s1
InChIKeyAEAMWEGVMMGNCT-IIOYWMTGSA-N
XLogP4.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one 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

(4aR,4bR,6aS,8S,10aS,10bS,12aR)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]chromen-2-one
CID 92967357
(3R,5R,10R,13R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 164643675
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-dione
CID 67024949
(3R,5S,8R,9S,10R,13S,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 25322973
(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 7056472
(9S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 163897462
(3S,5S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 11303
(3S,5R,8S,9R,10S,13S,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 129371050
(3R,5S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 2825511
(3S,5S,8S,9R,10S,13S,14S,17E)-17-[(Z)-[(3S,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hydrazinylidene]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 99572414
(3R,5S,8S,9S,10S,13R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
CID 20758703
(3R,10S,13S,16R)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 53481634

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one?
The IUPAC name of (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one (CID 71045967) is (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one.
What is the SMILES notation for (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one?
The canonical SMILES for (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one is C[C@]12CC[C@H](O)C[C@@H]1CCC1C3CC[C@]45OC(=O)CCC4C[C@]35CCC12.
What is the InChIKey of (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one?
The InChIKey is AEAMWEGVMMGNCT-IIOYWMTGSA-N. The full InChI is InChI=1S/C23H34O3/c1-21-9-6-16(24)12-14(21)2-4-17-18(21)7-10-22-13-15-3-5-20(25)26-23(15,22)11-8-19(17)22/h14-19,24H,2-13H2,1H3/t14-,15?,16-,17?,18?,19?,21-,22+,23-/m0/s1.
What are the key properties of (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one?
(1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one has a molecular weight of 358.52 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8S,10S,17S)-8-hydroxy-5-methyl-18-oxahexacyclo[12.9.0.01,17.04,13.05,10.017,22]tricosan-19-one is sourced from PubChem (CID 71045967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).