(1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

C25H37NO6 — CID 73345973

IUPAC(1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
SMILESC=C1[C@H]2C[C@H](OC(=O)N3CCOCC3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O
InChIInChI=1S/C25H37NO6/c1-15-16-13-17(32-22(30)26-9-11-31-12-10-26)19-23(2)6-4-7-24(3,21(28)29)18(23)5-8-25(19,14-16)20(15)27/h16-20,27H,1,4-14H2,2-3H3,(H,28,29)/t16-,17-,18-,19-,20+,23+,24+,25+/m0/s1
InChIKeyOGKWFECHZFSMHK-SLBIUEALSA-N
MW447.57 g/mol
LogP3.46
Rot. Bonds2

About (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

(1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid (PubChem CID 73345973) has the molecular formula C25H37NO6 and a molecular weight of 447.57 g/mol. Its IUPAC name is (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.

Molecular Properties

Compound Name(1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
PubChem CID73345973
Molecular FormulaC25H37NO6
Molecular Weight447.57 g/mol
Exact Mass447.26
IUPAC Name(1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
SMILESC=C1[C@H]2C[C@H](OC(=O)N3CCOCC3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O
InChIInChI=1S/C25H37NO6/c1-15-16-13-17(32-22(30)26-9-11-31-12-10-26)19-23(2)6-4-7-24(3,21(28)29)18(23)5-8-25(19,14-16)20(15)27/h16-20,27H,1,4-14H2,2-3H3,(H,28,29)/t16-,17-,18-,19-,20+,23+,24+,25+/m0/s1
InChIKeyOGKWFECHZFSMHK-SLBIUEALSA-N
XLogP3.46
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid 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

(1R,4S,5R,9R,10S,11S,13S,15R)-11-(4-bromobenzoyl)oxy-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 71740710
(1R,5R,9S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 91895338
(1R,4S,5S,9S,10S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 101097500
(1R,4S,5R,9S,10S,13S,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 3036892
(1S,4S,5S,9R,10R,11R,13R)-11-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 71717075
N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide
CID 73347508
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 163036937
methyl (1S,4S,5R,9S,10S,12S,14R)-14-hydroxy-5,9-dimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylate
CID 89354602
5,9-dimethyl-15-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid;5,9-dimethyl-14-methylidene-15-prop-1-en-2-yloxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid;15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 162014101
(9R)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 51019424
5,9-dimethyl-14-methylidene-15-prop-1-en-2-yloxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 118547739
(1R,4S,5R,9R,10S)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 138113852

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid?
The IUPAC name of (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid (CID 73345973) is (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
What is the SMILES notation for (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid?
The canonical SMILES for (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid is C=C1[C@H]2C[C@H](OC(=O)N3CCOCC3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O.
What is the InChIKey of (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid?
The InChIKey is OGKWFECHZFSMHK-SLBIUEALSA-N. The full InChI is InChI=1S/C25H37NO6/c1-15-16-13-17(32-22(30)26-9-11-31-12-10-26)19-23(2)6-4-7-24(3,21(28)29)18(23)5-8-25(19,14-16)20(15)27/h16-20,27H,1,4-14H2,2-3H3,(H,28,29)/t16-,17-,18-,19-,20+,23+,24+,25+/m0/s1.
What are the key properties of (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid?
(1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid has a molecular weight of 447.57 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid is sourced from PubChem (CID 73345973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).