Soladulcidine

(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol

Also Known As: SOLADULCIDINE|Megacarpidine|Megacarpidin|Soladulcidin|Tomatidine|Dihydrosolasodine|Spirosolan-3-ol|Soladulcidine tetraoside|Megacarpidin tetroside|Dihydrosolasodine tetroside|5.alpha.-Solasodan-3.beta.-ol|5alpha-Solasodan-3beta-ol (8CI)|NCI60_041808|(22R,25R)-5alpha-Spirosolane-3beta-ol|Spirosolan-3-ol, (3b,5a,22a,25R)-|Dihydrosolasodine tetrosideMegacarpidin tetroside|Spirosolan-3-ol,5.alpha.,22.alpha.,25R)-|(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol|(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidin]-16-ol|(2aS,2'R,4S,5'R,6aS,6bS,8aS,8bR,9S,11aS,12aS,12bR)-5',6a,8a,9-tetramethyloctadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-ol|(8CI)-5a-Solasodan-3ss-ol; (6CI)-Solasodanol; , (7CI)-5a,6-Dihydro-Solasodine; (3ss,5a,22a,25R)-Spirosolan-3-ol; 5a,25D-Solasodan-3ss-ol; Megacarpidin; Megacarpidine; NSC 82181; Soladulcidin;

Molecular Formula	C27H45NO2
Molecular Weight	415.34503 g/mol
LogP	6.2
Topological Polar Surface Area	41.5 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	415.34503
Monoisotopic Mass	415.34503
Heavy Atoms	30
Complexity	696.0

Chemical Identifiers

CAS Number	54576-77-1
SMILES	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1
InChIKey	XYNPYHXGMWJBLV-MFRNJXNGSA-N