[(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium

C23H34NO2+ — CID 148852800

IUPAC[(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium
SMILESC#[N+][C@@]12CCC3C4CCC5CCC(=O)CC54CCC3[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C23H34NO2/c1-21-10-7-17(26)14-23(21,24-2)12-8-18-19(21)9-11-22-13-16(25)5-3-15(22)4-6-20(18)22/h2,15,17-20,26H,3-14H2,1H3/q+1/t15?,17-,18?,19?,20?,21-,22?,23-/m1/s1
InChIKeyASAHVKMGFVYACG-XQUNVXAJSA-N
MW356.53 g/mol
LogP4.82
Rot. Bonds

About [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium

[(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium (PubChem CID 148852800) has the molecular formula C23H34NO2+ and a molecular weight of 356.53 g/mol. Its IUPAC name is [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium.

Molecular Properties

Compound Name[(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium
PubChem CID148852800
Molecular FormulaC23H34NO2+
Molecular Weight356.53 g/mol
Exact Mass356.26
IUPAC Name[(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium
SMILESC#[N+][C@@]12CCC3C4CCC5CCC(=O)CC54CCC3[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C23H34NO2/c1-21-10-7-17(26)14-23(21,24-2)12-8-18-19(21)9-11-22-13-16(25)5-3-15(22)4-6-20(18)22/h2,15,17-20,26H,3-14H2,1H3/q+1/t15?,17-,18?,19?,20?,21-,22?,23-/m1/s1
InChIKeyASAHVKMGFVYACG-XQUNVXAJSA-N
XLogP4.82
TPSA41.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium with MolForge

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Related Compounds

acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane
CID 142981627
14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 142981628
(1R,2S,5R,10S,13S,14S,17R,19R)-17-hydroxy-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-7-one
CID 11484329
(3S,5R,10R,13S,17S)-10,13,17-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5,17-triol
CID 171976768
5,17-dihydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 14311689
(1S,2R,5R,7S,9S,11R,12S,16S)-5-hydroxy-2,16-dimethylpentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-one
CID 11243586
(3R,5S)-5,10,13,17,17-pentamethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 171068696
(8S,9R,10S,13R,14S)-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
CID 57251518
(9S,10S,13S,14S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 126500825
17-acetyl-5,10,13-trimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 4094026
(3R,5S,8R,9S,10S,13S,14S)-10-ethyl-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 90346915
(3S,5S,8R,9S,10S,13S,14S)-10-ethyl-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 90346935

Frequently Asked Questions

What is the IUPAC name of [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium?
The IUPAC name of [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium (CID 148852800) is [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium.
What is the SMILES notation for [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium?
The canonical SMILES for [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium is C#[N+][C@@]12CCC3C4CCC5CCC(=O)CC54CCC3[C@@]1(C)CC[C@@H](O)C2.
What is the InChIKey of [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium?
The InChIKey is ASAHVKMGFVYACG-XQUNVXAJSA-N. The full InChI is InChI=1S/C23H34NO2/c1-21-10-7-17(26)14-23(21,24-2)12-8-18-19(21)9-11-22-13-16(25)5-3-15(22)4-6-20(18)22/h2,15,17-20,26H,3-14H2,1H3/q+1/t15?,17-,18?,19?,20?,21-,22?,23-/m1/s1.
What are the key properties of [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium?
[(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium has a molecular weight of 356.53 g/mol, XLogP of 4.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium is sourced from PubChem (CID 148852800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).