Digin

5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol

Also Known As: Gitogenin|Digin|Neogitogenin|Spirostan-2,3-diol|Palmitoleoylchloride|(+)-Rhododendrol|Gitogenin [M+H]+|Spirostan-2,3-diol #|5.alpha.-Spirostan-2.alpha., (25R)-|(25R)-5.alpha.-Spirostan-2.alpha.,3.beta.-diol|Spirostan-2, (2.alpha.,3.beta.,5.alpha.,25R)-|5.alpha.-Spirostan-2.alpha.,3.beta.-diol, (25R)-|5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol|Spirostan-2,3-diol, (2.alpha.,3.beta.,5.alpha.,25R)-|(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol|5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-15,16-diol|5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]icosane]-15',16'-diol

Molecular Formula	C27H44O4
Molecular Weight	432.32397 g/mol
LogP	5.5
Topological Polar Surface Area	58.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	432.32397
Monoisotopic Mass	432.32397
Heavy Atoms	31
Complexity	726.0

Chemical Identifiers

CAS Number	59092-94-3
SMILES	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1
InChIKey	FWCXELAAYFYCSR-UHFFFAOYSA-N