Sonrisas canónicas	C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C
InChIKey	JVKYZPBMZPJNAJ-OQFNDJACSA-N
INCHI	1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
Isómeros SMILES	C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C
PubChem CID	65727

Documentation

📋 Safety Data Sheet (SDS)

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Clase Steroids and steroid derivatives
    - Subclass Steroidal alkaloids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Clase	Steroids and steroid derivatives
Subclass	Steroidal alkaloids
Intermediate Tree Nodes	Not available
Direct Parent	Solanidines and derivatives
Alternative Parents	3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids Delta-5-steroids Azasteroids and derivatives Indolizidines Alkaloids and derivatives Piperidines N-alkylpyrrolidines Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Solanidane skeleton - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Azasteroid - Delta-5-steroid - Alkaloid or derivatives - Indolizidine - N-alkylpyrrolidine - Piperidine - Cyclic alcohol - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organooxygen compound - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as solanidines and derivatives. These are steroids with a structure based on the solanidane skeleton. Solanidane arises from the conversion of a cholestane side-chain into a bicyclic system.
External Descriptors	Solanidines and alkaloid derivatives
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

A498 (42825 Activities)

Peso molecular	397.600 g/mol
XLogP3	6.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	397.334 Da
Monoisotopic Mass	397.334 Da
Topological Polar Surface Area	23.500 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	715.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

solanidine - Moligand™ , CAS No.S613653

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Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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