gamma2-Solamarine
Basic information
- CAS
11034-34-7- Standard SMILES
CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
KRQDMAXNTWLTDZ-UHFFFAOYSA-N- Molecular formula
- C39H63NO11
- Average molar mass
- 721.9 g/mol
- Monoisotopic mass
- 721.44011183
Names & identifiers
- Preferred name
- gamma2-Solamarine
- IUPAC
- 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Names & synonyms
11034-34-72-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triolg-SolamarineMFCD29049450G2-Solamarinegamma2-SolamarineC39H63NO11Khasianine [M+H]+SCHEMBL29262697s9012CID 215737592-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
Database identifiers
- CAS
11034-34-7- PubChem CID
- 3479482
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,320
Experimental & physicochemical properties
Melting Point243 - 248 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Compound notes
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